3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide

C14H20ClN3O — CID 106609608

IUPAC3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H20ClN3O/c1-10(2)18(9-11-4-3-6-17-11)14(19)12-5-7-16-8-13(12)15/h5,7-8,10-11,17H,3-4,6,9H2,1-2H3
InChIKeySHECZWPMZRNCCF-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds4

About 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide

3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 106609608) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID106609608
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H20ClN3O/c1-10(2)18(9-11-4-3-6-17-11)14(19)12-5-7-16-8-13(12)15/h5,7-8,10-11,17H,3-4,6,9H2,1-2H3
InChIKeySHECZWPMZRNCCF-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
4-bromo-2-hydroxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609548
2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
3-ethyl-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106609915
3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylimidazole-4-carboxamide
CID 106626597
4-chloro-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106610041
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609890

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide (CID 106609608) is 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide is CC(C)N(CC1CCCN1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is SHECZWPMZRNCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(2)18(9-11-4-3-6-17-11)14(19)12-5-7-16-8-13(12)15/h5,7-8,10-11,17H,3-4,6,9H2,1-2H3.
What are the key properties of 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106609608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).