5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide

C14H23ClN4O — CID 82949525

IUPAC5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(C)CN(C)C)cc1Cl
InChIInChI=1S/C14H23ClN4O/c1-5-6-16-13-12(15)7-11(8-17-13)14(20)18-10(2)9-19(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyNNSLRISNZSNFPD-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.24
Rot. Bonds7

About 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide

5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide (PubChem CID 82949525) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
PubChem CID82949525
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(C)CN(C)C)cc1Cl
InChIInChI=1S/C14H23ClN4O/c1-5-6-16-13-12(15)7-11(8-17-13)14(20)18-10(2)9-19(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)(H,18,20)
InChIKeyNNSLRISNZSNFPD-UHFFFAOYSA-N
XLogP2.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide
CID 65052981
5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283572
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide (CID 82949525) is 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NC(C)CN(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is NNSLRISNZSNFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-5-6-16-13-12(15)7-11(8-17-13)14(20)18-10(2)9-19(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)(H,18,20).
What are the key properties of 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 298.82 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 82949525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).