N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide

C15H17ClN4O — CID 19960025

IUPACN-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)N(C)c1cccnc1Cl
InChIInChI=1S/C15H17ClN4O/c1-3-8-18-14-11(6-4-10-19-14)15(21)20(2)12-7-5-9-17-13(12)16/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyUSGKLAQPLLAVBD-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.23
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide

N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide (PubChem CID 19960025) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide
PubChem CID19960025
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)N(C)c1cccnc1Cl
InChIInChI=1S/C15H17ClN4O/c1-3-8-18-14-11(6-4-10-19-14)15(21)20(2)12-7-5-9-17-13(12)16/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)
InChIKeyUSGKLAQPLLAVBD-UHFFFAOYSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63961871
N-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62168547
2-(propylamino)pyridine-3-carboxylate
CID 22068597
N-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62168156
N-(cyclopropylmethyl)-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 63940110
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 62179926
N-methyl-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62165835
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
N-ethyl-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62181530
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide (CID 19960025) is N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)N(C)c1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is USGKLAQPLLAVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-8-18-14-11(6-4-10-19-14)15(21)20(2)12-7-5-9-17-13(12)16/h4-7,9-10H,3,8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide?
N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 19960025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).