3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

C18H20ClN3O2 — CID 124607965

IUPAC3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CC[C@@H](CNC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C18H20ClN3O2/c1-24-17-5-3-2-4-16(17)22-9-7-13(12-22)10-21-18(23)14-6-8-20-11-15(14)19/h2-6,8,11,13H,7,9-10,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFJNQTYMEPWEORR-ZDUSSCGKSA-N
MW345.83 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 124607965) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID124607965
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CC[C@@H](CNC(=O)c2ccncc2Cl)C1
InChIInChI=1S/C18H20ClN3O2/c1-24-17-5-3-2-4-16(17)22-9-7-13(12-22)10-21-18(23)14-6-8-20-11-15(14)19/h2-6,8,11,13H,7,9-10,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFJNQTYMEPWEORR-ZDUSSCGKSA-N
XLogP3.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
2-hydroxy-4-methoxy-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 97000051
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 125135335

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (CID 124607965) is 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is COc1ccccc1N1CC[C@@H](CNC(=O)c2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is FJNQTYMEPWEORR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-24-17-5-3-2-4-16(17)22-9-7-13(12-22)10-21-18(23)14-6-8-20-11-15(14)19/h2-6,8,11,13H,7,9-10,12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 124607965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).