N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide

C18H21N5O2 — CID 5054791

IUPACN-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCc2ccccn2)C2CC2)cn1
InChIInChI=1S/C18H21N5O2/c1-13-10-21-16(12-20-13)18(25)23(15-5-6-15)9-7-17(24)22-11-14-4-2-3-8-19-14/h2-4,8,10,12,15H,5-7,9,11H2,1H3,(H,22,24)
InChIKeyUTAURLXNBKDLGA-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.49
Rot. Bonds7

About N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide

N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 5054791) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide
PubChem CID5054791
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCc2ccccn2)C2CC2)cn1
InChIInChI=1S/C18H21N5O2/c1-13-10-21-16(12-20-13)18(25)23(15-5-6-15)9-7-17(24)22-11-14-4-2-3-8-19-14/h2-4,8,10,12,15H,5-7,9,11H2,1H3,(H,22,24)
InChIKeyUTAURLXNBKDLGA-UHFFFAOYSA-N
XLogP1.49
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783081
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783088
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 3669246
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026459
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3695173
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 816542
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026457
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81317198
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide (CID 5054791) is N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NCc2ccccn2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is UTAURLXNBKDLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-10-21-16(12-20-13)18(25)23(15-5-6-15)9-7-17(24)22-11-14-4-2-3-8-19-14/h2-4,8,10,12,15H,5-7,9,11H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide?
N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 5054791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).