N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

C20H22ClN3O3 — CID 87001191

IUPACN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cn1
InChIInChI=1S/C20H22ClN3O3/c1-13(2)27-18-8-5-14(12-22-18)19(25)23-17-11-15(21)6-7-16(17)20(26)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,25)
InChIKeyMHTUWPOVMFQXAC-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.01
Rot. Bonds5

About N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 87001191) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID87001191
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cn1
InChIInChI=1S/C20H22ClN3O3/c1-13(2)27-18-8-5-14(12-22-18)19(25)23-17-11-15(21)6-7-16(17)20(26)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,25)
InChIKeyMHTUWPOVMFQXAC-UHFFFAOYSA-N
XLogP4.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(piperidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55686867
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55807567
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 89272958
N-(5-chloro-2-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044656
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55727336
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate
CID 67765319
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
5-[[3-chloro-4-(piperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125108
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 87001191) is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cn1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is MHTUWPOVMFQXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13(2)27-18-8-5-14(12-22-18)19(25)23-17-11-15(21)6-7-16(17)20(26)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 87001191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).