N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C25H21ClFN5O — CID 67267455

IUPACN-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncnc3ccc(Cl)cc23)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C25H21ClFN5O/c26-18-5-7-23-21(13-18)24(30-15-29-23)32-10-8-20(9-11-32)31-25(33)17-4-6-22(28-14-17)16-2-1-3-19(27)12-16/h1-7,12-15,20H,8-11H2,(H,31,33)
InChIKeyLDOBNPJDYKNZLG-UHFFFAOYSA-N
MW461.93 g/mol
LogP4.88
Rot. Bonds4

About N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67267455) has the molecular formula C25H21ClFN5O and a molecular weight of 461.93 g/mol. Its IUPAC name is N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67267455
Molecular FormulaC25H21ClFN5O
Molecular Weight461.93 g/mol
Exact Mass461.14
IUPAC NameN-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncnc3ccc(Cl)cc23)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C25H21ClFN5O/c26-18-5-7-23-21(13-18)24(30-15-29-23)32-10-8-20(9-11-32)31-25(33)17-4-6-22(28-14-17)16-2-1-3-19(27)12-16/h1-7,12-15,20H,8-11H2,(H,31,33)
InChIKeyLDOBNPJDYKNZLG-UHFFFAOYSA-N
XLogP4.88
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Azanyl-6-[[(1~{s})-1-(6-Fluoranyl-3-Phenyl-4-Piperazin-1-Ylcarbonyl-Quinolin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile
CID 49872646
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11503981
6,7-dichloro-4-(4-fluoro-3-(4-(quinazolin-2-yl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229944
(S)-2-(1-(6-amino-5-cyanopyrimidin-4-ylamino)ethyl)-6-fluoro-N-methyl-3-(pyridin-2-yl)quinoline-4-carboxamide
CID 59634686
(s)-2-(1-(6-Amino-5-cyanopyrimidin-4-ylamino)ethyl)-n-ethyl-6-fluoro-3-(pyridin-2-yl)quinoline-4-carboxamide
CID 59634709
N-{2-[(3-Chlorophenyl)amino]-4-methylquinolin-6-YL}pyridine-3-carboxamide
CID 16021397
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
N-[4-chloro-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 53372213
5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-5-fluoro-N-methyl-3-pyridin-2-ylquinoline-4-carboxamide
CID 132597748
2-chloro-N-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]nicotinamide
CID 9550657

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67267455) is N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is O=C(NC1CCN(c2ncnc3ccc(Cl)cc23)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is LDOBNPJDYKNZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O/c26-18-5-7-23-21(13-18)24(30-15-29-23)32-10-8-20(9-11-32)31-25(33)17-4-6-22(28-14-17)16-2-1-3-19(27)12-16/h1-7,12-15,20H,8-11H2,(H,31,33).
What are the key properties of N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 461.93 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67267455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).