6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide

C17H18ClN3O — CID 133395258

IUPAC6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC2(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O/c18-14-8-13(15(19)22)10-20-16(14)21-11-17(6-7-17)9-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2,(H2,19,22)(H,20,21)
InChIKeyQBNBQINZJYCWBI-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.27
Rot. Bonds6

About 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide

6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide (PubChem CID 133395258) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
PubChem CID133395258
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCC2(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C17H18ClN3O/c18-14-8-13(15(19)22)10-20-16(14)21-11-17(6-7-17)9-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2,(H2,19,22)(H,20,21)
InChIKeyQBNBQINZJYCWBI-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

5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
CID 95141905
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614
5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
CID 133277831
5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133272654
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide (CID 133395258) is 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide is NC(=O)c1cnc(NCC2(Cc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide?
The InChIKey is QBNBQINZJYCWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-8-13(15(19)22)10-20-16(14)21-11-17(6-7-17)9-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2,(H2,19,22)(H,20,21).
What are the key properties of 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide?
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-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 6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 133395258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).