cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide

C20H22FN3O3 — CID 53380162

IUPACcis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@H](NC(C)=O)C2)c1
InChIInChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)/t14-,16+/m1/s1
InChIKeyFUMJKSZLZJFCAQ-ZBFHGGJFSA-N
MW371.41 g/mol
LogP3.14
Rot. Bonds5

About cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 53380162) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide
PubChem CID53380162
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Namecis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@H](NC(C)=O)C2)c1
InChIInChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)/t14-,16+/m1/s1
InChIKeyFUMJKSZLZJFCAQ-ZBFHGGJFSA-N
XLogP3.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 5
CID 118420335
US9902722, Example 7
CID 118429852
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]phenyl]-2-pyridinyl]acetamide
CID 168286154
Cdk-IN-2
CID 50991505
(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
US10155760, Example 11
CID 118419999

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide (CID 53380162) is cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide is COc1cc(F)ccc1-c1ccnc(NC(=O)[C@@H]2CC[C@H](NC(C)=O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide?
The InChIKey is FUMJKSZLZJFCAQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)/t14-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 53380162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).