3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide

C14H19ClN4O — CID 62174078

IUPAC3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC2CCN3CCCC23)n1
InChIInChI=1S/C14H19ClN4O/c1-16-12-5-4-9(15)13(18-12)14(20)17-10-6-8-19-7-2-3-11(10)19/h4-5,10-11H,2-3,6-8H2,1H3,(H,16,18)(H,17,20)
InChIKeyOXJGNWVXBLLKCR-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.74
Rot. Bonds3

About 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62174078) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID62174078
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC2CCN3CCCC23)n1
InChIInChI=1S/C14H19ClN4O/c1-16-12-5-4-9(15)13(18-12)14(20)17-10-6-8-19-7-2-3-11(10)19/h4-5,10-11H,2-3,6-8H2,1H3,(H,16,18)(H,17,20)
InChIKeyOXJGNWVXBLLKCR-UHFFFAOYSA-N
XLogP1.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036
3-chloro-N-cyclohexyl-6-(methylamino)pyridine-2-carboxamide
CID 62173028
3-chloro-6-(methylamino)-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 62178316
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62176030
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide
CID 114120793
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,6-dichloropyridine-4-carboxamide
CID 61041996
3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 113363104
2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 103765484
[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide (CID 62174078) is 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NC2CCN3CCCC23)n1.
What is the InChIKey of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is OXJGNWVXBLLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-16-12-5-4-9(15)13(18-12)14(20)17-10-6-8-19-7-2-3-11(10)19/h4-5,10-11H,2-3,6-8H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62174078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).