N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide

C25H25F2N5O3 — CID 69450048

IUPACN-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(C2CCN(C(=O)Nc3ncc(F)cc3F)CC2)cc1
InChIInChI=1S/C25H25F2N5O3/c1-35-22-5-3-2-4-21(22)30-24(33)29-19-8-6-16(7-9-19)17-10-12-32(13-11-17)25(34)31-23-20(27)14-18(26)15-28-23/h2-9,14-15,17H,10-13H2,1H3,(H,28,31,34)(H2,29,30,33)
InChIKeyPIOFPKXSNMYSGB-UHFFFAOYSA-N
MW481.50 g/mol
LogP5.42
Rot. Bonds5

About N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide

N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide (PubChem CID 69450048) has the molecular formula C25H25F2N5O3 and a molecular weight of 481.50 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide
PubChem CID69450048
Molecular FormulaC25H25F2N5O3
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC NameN-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1ccc(C2CCN(C(=O)Nc3ncc(F)cc3F)CC2)cc1
InChIInChI=1S/C25H25F2N5O3/c1-35-22-5-3-2-4-21(22)30-24(33)29-19-8-6-16(7-9-19)17-10-12-32(13-11-17)25(34)31-23-20(27)14-18(26)15-28-23/h2-9,14-15,17H,10-13H2,1H3,(H,28,31,34)(H2,29,30,33)
InChIKeyPIOFPKXSNMYSGB-UHFFFAOYSA-N
XLogP5.42
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lexibulin
CID 11351021
Way 100635
CID 5684
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
Fcway
CID 10048892
Mefway F-18
CID 11963740
[11C]Jway
CID 11834378
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
WAY 100635 hydrochloride
CID 104911
N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)cyclohexanecarboxamide hydrochloride
CID 44593709
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]pyrimidine-2,4-diamine
CID 56966978
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide (CID 69450048) is N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide is COc1ccccc1NC(=O)Nc1ccc(C2CCN(C(=O)Nc3ncc(F)cc3F)CC2)cc1.
What is the InChIKey of N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide?
The InChIKey is PIOFPKXSNMYSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O3/c1-35-22-5-3-2-4-21(22)30-24(33)29-19-8-6-16(7-9-19)17-10-12-32(13-11-17)25(34)31-23-20(27)14-18(26)15-28-23/h2-9,14-15,17H,10-13H2,1H3,(H,28,31,34)(H2,29,30,33).
What are the key properties of N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide?
N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide has a molecular weight of 481.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-2-pyridinyl)-4-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 69450048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).