N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide

C13H17N5O — CID 55134426

IUPACN-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H17N5O/c1-14-12-11(4-2-5-16-12)13(19)17-6-3-8-18-9-7-15-10-18/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,14,16)(H,17,19)
InChIKeyKCMZYGVVMSKQKI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.14
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 55134426) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID55134426
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H17N5O/c1-14-12-11(4-2-5-16-12)13(19)17-6-3-8-18-9-7-15-10-18/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,14,16)(H,17,19)
InChIKeyKCMZYGVVMSKQKI-UHFFFAOYSA-N
XLogP1.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
5-bromo-N-(2-imidazol-1-ylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62176435

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide (CID 55134426) is N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is KCMZYGVVMSKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-14-12-11(4-2-5-16-12)13(19)17-6-3-8-18-9-7-15-10-18/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,14,16)(H,17,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55134426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).