N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide

C14H21ClN4O2 — CID 106241047

IUPACN-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NCCCCC(N)=O)cc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-2-6-17-13-11(15)8-10(9-19-13)14(21)18-7-4-3-5-12(16)20/h8-9H,2-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)
InChIKeyFFNPIHCRKVNMRM-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.94
Rot. Bonds9

About N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide

N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide (PubChem CID 106241047) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
PubChem CID106241047
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NCCCCC(N)=O)cc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-2-6-17-13-11(15)8-10(9-19-13)14(21)18-7-4-3-5-12(16)20/h8-9H,2-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)
InChIKeyFFNPIHCRKVNMRM-UHFFFAOYSA-N
XLogP1.94
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 106423014
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
N-(5-amino-5-oxopentyl)-4-(propylamino)benzamide
CID 106241045
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide (CID 106241047) is N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NCCCCC(N)=O)cc1Cl.
What is the InChIKey of N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is FFNPIHCRKVNMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-2-6-17-13-11(15)8-10(9-19-13)14(21)18-7-4-3-5-12(16)20/h8-9H,2-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21).
What are the key properties of N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide?
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106241047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).