5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide

C17H18ClN3O — CID 133322616

IUPAC5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC(Cc2ccccc2)C2CC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O/c18-14-9-13(16(19)22)10-20-17(14)21-15(12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9-10,12,15H,6-8H2,(H2,19,22)(H,20,21)
InChIKeyFFNVDLHTNDBESN-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.27
Rot. Bonds6

About 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide

5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide (PubChem CID 133322616) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
PubChem CID133322616
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC(Cc2ccccc2)C2CC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O/c18-14-9-13(16(19)22)10-20-17(14)21-15(12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9-10,12,15H,6-8H2,(H2,19,22)(H,20,21)
InChIKeyFFNVDLHTNDBESN-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
CID 95141905
5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
CID 133398414
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
CID 95770496
4-[(2-amino-1-cyclopropylethyl)amino]-3-chlorobenzamide
CID 65193649
5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
CID 133277831
6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
CID 133366936
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685714
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-carboxamide
CID 78998923

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide (CID 133322616) is 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide is NC(=O)c1cnc(NC(Cc2ccccc2)C2CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide?
The InChIKey is FFNVDLHTNDBESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-9-13(16(19)22)10-20-17(14)21-15(12-6-7-12)8-11-4-2-1-3-5-11/h1-5,9-10,12,15H,6-8H2,(H2,19,22)(H,20,21).
What are the key properties of 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide?
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133322616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).