2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide

C10H14ClN3O — CID 62171490

IUPAC2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC)cc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-3-4-13-9-6-7(10(15)12-2)5-8(11)14-9/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySWHZXAMSYVJNEG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.92
Rot. Bonds4

About 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide (PubChem CID 62171490) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
PubChem CID62171490
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC)cc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-3-4-13-9-6-7(10(15)12-2)5-8(11)14-9/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySWHZXAMSYVJNEG-UHFFFAOYSA-N
XLogP1.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62165467
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-chloro-6-(propylamino)pyridine-4-carbonyl azide
CID 90872001
2-chloro-N,N-bis(cyanomethyl)-6-(propylamino)pyridine-4-carboxamide
CID 62184912
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62167493
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 63245018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide (CID 62171490) is 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is SWHZXAMSYVJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-4-13-9-6-7(10(15)12-2)5-8(11)14-9/h5-6H,3-4H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62171490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).