N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C19H22ClN3O2 — CID 39584681

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13(2)25-17-8-7-14(12-16(17)20)22-19(24)15-6-5-9-21-18(15)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyOSSYRYSXCAAFBR-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.37
Rot. Bonds5

About N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 39584681) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID39584681
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13(2)25-17-8-7-14(12-16(17)20)22-19(24)15-6-5-9-21-18(15)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyOSSYRYSXCAAFBR-UHFFFAOYSA-N
XLogP4.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 78886067
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755749
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide
CID 155781458

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 39584681) is N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is OSSYRYSXCAAFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(2)25-17-8-7-14(12-16(17)20)22-19(24)15-6-5-9-21-18(15)23-10-3-4-11-23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 39584681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).