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

C15H22ClN3O — CID 106611897

IUPACN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H22ClN3O/c1-2-3-9-19(11-12-5-4-7-18-12)15(20)13-6-8-17-10-14(13)16/h6,8,10,12,18H,2-5,7,9,11H2,1H3
InChIKeyATIRKHARDJLFFW-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.73
Rot. Bonds6

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

N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 106611897) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID106611897
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H22ClN3O/c1-2-3-9-19(11-12-5-4-7-18-12)15(20)13-6-8-17-10-14(13)16/h6,8,10,12,18H,2-5,7,9,11H2,1H3
InChIKeyATIRKHARDJLFFW-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide (CID 106611897) is N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide is CCCCN(CC1CCCN1)C(=O)c1ccncc1Cl.
What is the InChIKey of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ATIRKHARDJLFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-3-9-19(11-12-5-4-7-18-12)15(20)13-6-8-17-10-14(13)16/h6,8,10,12,18H,2-5,7,9,11H2,1H3.
What are the key properties of N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide?
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106611897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).