N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C18H25N5O2 — CID 87953358

IUPACN-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCC(CCNC(=O)c1ccnc(N2CCCC2)c1)CC(=O)NCC#N
InChIInChI=1S/C18H25N5O2/c1-14(12-17(24)21-9-6-19)4-7-22-18(25)15-5-8-20-16(13-15)23-10-2-3-11-23/h5,8,13-14H,2-4,7,9-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyPFQWHYXAZIAXER-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.47
Rot. Bonds8

About N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 87953358) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID87953358
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCC(CCNC(=O)c1ccnc(N2CCCC2)c1)CC(=O)NCC#N
InChIInChI=1S/C18H25N5O2/c1-14(12-17(24)21-9-6-19)4-7-22-18(25)15-5-8-20-16(13-15)23-10-2-3-11-23/h5,8,13-14H,2-4,7,9-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyPFQWHYXAZIAXER-UHFFFAOYSA-N
XLogP1.47
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574612
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 57037529
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
CID 117090636
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 87953358) is N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is CC(CCNC(=O)c1ccnc(N2CCCC2)c1)CC(=O)NCC#N.
What is the InChIKey of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is PFQWHYXAZIAXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(12-17(24)21-9-6-19)4-7-22-18(25)15-5-8-20-16(13-15)23-10-2-3-11-23/h5,8,13-14H,2-4,7,9-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 87953358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).