N-(4-aminobutyl)-4-chloropyridine-3-carboxamide

C10H14ClN3O — CID 81227353

IUPACN-(4-aminobutyl)-4-chloropyridine-3-carboxamide
SMILESNCCCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C10H14ClN3O/c11-9-3-6-13-7-8(9)10(15)14-5-2-1-4-12/h3,6-7H,1-2,4-5,12H2,(H,14,15)
InChIKeyJLVFSQRIALHBQV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.20
Rot. Bonds5

About N-(4-aminobutyl)-4-chloropyridine-3-carboxamide

N-(4-aminobutyl)-4-chloropyridine-3-carboxamide (PubChem CID 81227353) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-chloropyridine-3-carboxamide
PubChem CID81227353
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(4-aminobutyl)-4-chloropyridine-3-carboxamide
SMILESNCCCCNC(=O)c1cnccc1Cl
InChIInChI=1S/C10H14ClN3O/c11-9-3-6-13-7-8(9)10(15)14-5-2-1-4-12/h3,6-7H,1-2,4-5,12H2,(H,14,15)
InChIKeyJLVFSQRIALHBQV-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
4-chloro-N-(5-methylsulfanylpentyl)pyridine-3-carboxamide
CID 104927006
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
4-chloro-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114616643

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-chloropyridine-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-4-chloropyridine-3-carboxamide (CID 81227353) is N-(4-aminobutyl)-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-4-chloropyridine-3-carboxamide is NCCCCNC(=O)c1cnccc1Cl.
What is the InChIKey of N-(4-aminobutyl)-4-chloropyridine-3-carboxamide?
The InChIKey is JLVFSQRIALHBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-3-6-13-7-8(9)10(15)14-5-2-1-4-12/h3,6-7H,1-2,4-5,12H2,(H,14,15).
What are the key properties of N-(4-aminobutyl)-4-chloropyridine-3-carboxamide?
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81227353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).