(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide

C18H19ClFN3O2 — CID 50991505

IUPAC(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C18H19ClFN3O2/c1-25-16-5-4-12(20)7-14(16)13-8-17(22-10-15(13)19)23-18(24)11-3-2-6-21-9-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,22,23,24)/t11-/m1/s1
InChIKeyAHMKHNVZGOQLRQ-LLVKDONJSA-N
MW363.82 g/mol
LogP3.49
Rot. Bonds4

About (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 50991505) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID50991505
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C18H19ClFN3O2/c1-25-16-5-4-12(20)7-14(16)13-8-17(22-10-15(13)19)23-18(24)11-3-2-6-21-9-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,22,23,24)/t11-/m1/s1
InChIKeyAHMKHNVZGOQLRQ-LLVKDONJSA-N
XLogP3.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
1-(5-Chloropyridin-2-yl)-3-[2-(2-fluoro-3,6-dimethoxyphenyl)ethyl]urea
CID 469201
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea
CID 475283
1-(5-Chloropyridin-2-yl)-3-[2-(3-acetyl-6-fluoro-2-methoxyphenyl)ethyl]urea
CID 475282
1-(5-Chloro-2-pyridyl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)ethyl]urea
CID 469202
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(3-ethoxy-2,6-difluoro-phenyl)cyclopropyl]urea
CID 469283
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(2-fluoro-3,6-dimethoxy-phenyl)cyclopropyl]urea
CID 469284
N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996135
(3R)-N-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]piperidine-3-carboxamide
CID 50991506
(1S,3R)-3-Acetamido-N-(4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)cyclohexane-1-carboxamide
CID 53373586
cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 53380162
1-(5-chloro-2-pyridinyl)-3-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122582903

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide (CID 50991505) is (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide is COc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl.
What is the InChIKey of (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is AHMKHNVZGOQLRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-25-16-5-4-12(20)7-14(16)13-8-17(22-10-15(13)19)23-18(24)11-3-2-6-21-9-11/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,22,23,24)/t11-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 50991505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).