2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide

C14H14Cl2N4O — CID 103094848

IUPAC2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ncccc2Cl)cc(Cl)n1
InChIInChI=1S/C14H14Cl2N4O/c1-2-5-17-12-8-9(7-11(16)19-12)14(21)20-13-10(15)4-3-6-18-13/h3-4,6-8H,2,5H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyIUSHSMRMFXEUKD-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.86
Rot. Bonds5

About 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 103094848) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID103094848
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ncccc2Cl)cc(Cl)n1
InChIInChI=1S/C14H14Cl2N4O/c1-2-5-17-12-8-9(7-11(16)19-12)14(21)20-13-10(15)4-3-6-18-13/h3-4,6-8H,2,5H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyIUSHSMRMFXEUKD-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 103094851
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62165467
N-(3-chloro-2-pyridinyl)-4-(ethylamino)benzamide
CID 103094902
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
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
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
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-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide (CID 103094848) is 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2ncccc2Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is IUSHSMRMFXEUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-2-5-17-12-8-9(7-11(16)19-12)14(21)20-13-10(15)4-3-6-18-13/h3-4,6-8H,2,5H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 103094848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).