N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C18H20ClN3O3 — CID 39964617

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cccnc2N2CCCC2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-24-15-11-16(25-2)14(10-13(15)19)21-18(23)12-6-5-7-20-17(12)22-8-3-4-9-22/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyYQVPOYLWIBBZJL-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.60
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 39964617) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID39964617
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cccnc2N2CCCC2)cc1Cl
InChIInChI=1S/C18H20ClN3O3/c1-24-15-11-16(25-2)14(10-13(15)19)21-18(23)12-6-5-7-20-17(12)22-8-3-4-9-22/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyYQVPOYLWIBBZJL-UHFFFAOYSA-N
XLogP3.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39584681
2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 84576944
N-(2-methoxy-5-methyl-3-pyridinyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 122144270
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
1-(5-chloro-2,4-dimethoxyphenyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809472
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 39964617) is N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is COc1cc(OC)c(NC(=O)c2cccnc2N2CCCC2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is YQVPOYLWIBBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-24-15-11-16(25-2)14(10-13(15)19)21-18(23)12-6-5-7-20-17(12)22-8-3-4-9-22/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 39964617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).