2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide

C23H29N7O2 — CID 58869621

IUPAC2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
SMILESCc1nc(N)ccc1CNCCn1c(C)cnc(NC(Cc2ccccc2)C(N)=O)c1=O
InChIInChI=1S/C23H29N7O2/c1-15-13-27-22(29-19(21(25)31)12-17-6-4-3-5-7-17)23(32)30(15)11-10-26-14-18-8-9-20(24)28-16(18)2/h3-9,13,19,26H,10-12,14H2,1-2H3,(H2,24,28)(H2,25,31)(H,27,29)
InChIKeyFCMZYXQSLHXXAS-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.14
Rot. Bonds10

About 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide

2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide (PubChem CID 58869621) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
PubChem CID58869621
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide
SMILESCc1nc(N)ccc1CNCCn1c(C)cnc(NC(Cc2ccccc2)C(N)=O)c1=O
InChIInChI=1S/C23H29N7O2/c1-15-13-27-22(29-19(21(25)31)12-17-6-4-3-5-7-17)23(32)30(15)11-10-26-14-18-8-9-20(24)28-16(18)2/h3-9,13,19,26H,10-12,14H2,1-2H3,(H2,24,28)(H2,25,31)(H,27,29)
InChIKeyFCMZYXQSLHXXAS-UHFFFAOYSA-N
XLogP1.14
TPSA140.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869625
(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
CID 155662554
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
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]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 91588906
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[6-[3-(hydroxymethyl)phenyl]-2-oxo-3-(3-phenylpropyl)pyrazin-1-yl]acetamide
CID 157431100
6-methyl-5-(2-phenylethyl)pyridin-2-amine
CID 68841631
[1-[[1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl] carbamate
CID 175130377
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
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
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[2-(5-phenyl-2-pyridinyl)ethylamino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 70249443
1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869659

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide?
The IUPAC name of 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide (CID 58869621) is 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide.
What is the SMILES notation for 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide?
The canonical SMILES for 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide is Cc1nc(N)ccc1CNCCn1c(C)cnc(NC(Cc2ccccc2)C(N)=O)c1=O.
What is the InChIKey of 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide?
The InChIKey is FCMZYXQSLHXXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-15-13-27-22(29-19(21(25)31)12-17-6-4-3-5-7-17)23(32)30(15)11-10-26-14-18-8-9-20(24)28-16(18)2/h3-9,13,19,26H,10-12,14H2,1-2H3,(H2,24,28)(H2,25,31)(H,27,29).
What are the key properties of 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide?
2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide has a molecular weight of 435.53 g/mol, XLogP of 1.14, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-5-methyl-3-oxopyrazin-2-yl]amino]-3-phenylpropanamide is sourced from PubChem (CID 58869621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).