N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide

C18H23N5O2 — CID 145020536

IUPACN-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide
SMILESCCCC(NC(=O)N1C=C(c2cccnc2)CCC1)C(=O)NCC#N
InChIInChI=1S/C18H23N5O2/c1-2-5-16(17(24)21-10-8-19)22-18(25)23-11-4-7-15(13-23)14-6-3-9-20-12-14/h3,6,9,12-13,16H,2,4-5,7,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyHIWXWYPKLVKSGT-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.04
Rot. Bonds6

About N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide

N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide (PubChem CID 145020536) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide
PubChem CID145020536
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide
SMILESCCCC(NC(=O)N1C=C(c2cccnc2)CCC1)C(=O)NCC#N
InChIInChI=1S/C18H23N5O2/c1-2-5-16(17(24)21-10-8-19)22-18(25)23-11-4-7-15(13-23)14-6-3-9-20-12-14/h3,6,9,12-13,16H,2,4-5,7,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyHIWXWYPKLVKSGT-UHFFFAOYSA-N
XLogP2.04
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

3-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)pyridine
CID 10942960
2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide
CID 58739161
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
(2R)-2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)pentanoic acid
CID 107566939
(2S)-N-(cyanomethyl)-4-methyl-2-[[phenyl-[4-(pyridin-3-ylmethyl)phenyl]methyl]amino]pentanamide
CID 87345801
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N'-(2-methylpentanoyl)pyridine-3-carbohydrazide
CID 78780746
(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 124888922
(2R)-3-benzylsulfanyl-N-(cyanomethyl)-2-(3-pyridin-3-ylprop-2-enoylamino)propanamide
CID 87849916
N-[1-(cyanomethylamino)-1-oxo-3-(3-pyridazin-4-ylphenyl)propan-2-yl]benzamide
CID 56678113
N-[1-(cyanomethylamino)-1-oxo-4-phenoxybutan-2-yl]benzamide
CID 18421801

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide (CID 145020536) is N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide is CCCC(NC(=O)N1C=C(c2cccnc2)CCC1)C(=O)NCC#N.
What is the InChIKey of N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HIWXWYPKLVKSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-5-16(17(24)21-10-8-19)22-18(25)23-11-4-7-15(13-23)14-6-3-9-20-12-14/h3,6,9,12-13,16H,2,4-5,7,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide?
N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 145020536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).