N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide

C24H34N6O2 — CID 86291414

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCC(C)=C[C@@H]1[C@H](CNc2ncc(C)n(CC(=O)NCc3ccc(N)nc3C)c2=O)C1(C)C
InChIInChI=1S/C24H34N6O2/c1-14(2)9-18-19(24(18,5)6)12-28-22-23(32)30(15(3)10-27-22)13-21(31)26-11-17-7-8-20(25)29-16(17)4/h7-10,18-19H,11-13H2,1-6H3,(H2,25,29)(H,26,31)(H,27,28)/t18-,19+/m1/s1
InChIKeyAEWDWJHRZUUZPJ-MOPGFXCFSA-N
MW438.58 g/mol
LogP2.80
Rot. Bonds8

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (PubChem CID 86291414) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
PubChem CID86291414
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
SMILESCC(C)=C[C@@H]1[C@H](CNc2ncc(C)n(CC(=O)NCc3ccc(N)nc3C)c2=O)C1(C)C
InChIInChI=1S/C24H34N6O2/c1-14(2)9-18-19(24(18,5)6)12-28-22-23(32)30(15(3)10-27-22)13-21(31)26-11-17-7-8-20(25)29-16(17)4/h7-10,18-19H,11-13H2,1-6H3,(H2,25,29)(H,26,31)(H,27,28)/t18-,19+/m1/s1
InChIKeyAEWDWJHRZUUZPJ-MOPGFXCFSA-N
XLogP2.80
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-(3-cyclopropylpropylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 86291383
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[2-(2-fluorophenyl)sulfonylhydrazinyl]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 10183998
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(2S)-2-benzyl-1,7-dimethyl-3,5-dioxo-2,4-dihydropyrido[3,4-b]pyrazin-6-yl]acetamide
CID 10004435
1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869625
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(2-naphthalen-1-ylethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 70249075
2-[3-[[(3R,4S)-4-cyclopropylpyrrolidin-3-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085827
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylmethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 70249050
2-[6-methyl-3-(2-naphthalen-1-ylethylamino)-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
CID 59085729
(6S,8R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(2,2-diphenylethylamino)-8-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 70250228
2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
CID 58869621
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 70048841
N-[(3-amino-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methyl]-2-[3-[2-(2,4-difluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 22179385

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide (CID 86291414) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is CC(C)=C[C@@H]1[C@H](CNc2ncc(C)n(CC(=O)NCc3ccc(N)nc3C)c2=O)C1(C)C.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
The InChIKey is AEWDWJHRZUUZPJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-14(2)9-18-19(24(18,5)6)12-28-22-23(32)30(15(3)10-27-22)13-21(31)26-11-17-7-8-20(25)29-16(17)4/h7-10,18-19H,11-13H2,1-6H3,(H2,25,29)(H,26,31)(H,27,28)/t18-,19+/m1/s1.
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide has a molecular weight of 438.58 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[3-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide is sourced from PubChem (CID 86291414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).