N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide

C17H10ClF2N5O2 — CID 21072666

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ncc(F)cn1
InChIInChI=1S/C17H10ClF2N5O2/c18-9-1-4-14(21-6-9)25-16(26)12-5-10(19)2-3-13(12)24-17(27)15-22-7-11(20)8-23-15/h1-8H,(H,24,27)(H,21,25,26)
InChIKeyROOZYWKVVNZTNQ-UHFFFAOYSA-N
MW389.75 g/mol
LogP3.31
Rot. Bonds4

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide (PubChem CID 21072666) has the molecular formula C17H10ClF2N5O2 and a molecular weight of 389.75 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide
PubChem CID21072666
Molecular FormulaC17H10ClF2N5O2
Molecular Weight389.75 g/mol
Exact Mass389.05
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ncc(F)cn1
InChIInChI=1S/C17H10ClF2N5O2/c18-9-1-4-14(21-6-9)25-16(26)12-5-10(19)2-3-13(12)24-17(27)15-22-7-11(20)8-23-15/h1-8H,(H,24,27)(H,21,25,26)
InChIKeyROOZYWKVVNZTNQ-UHFFFAOYSA-N
XLogP3.31
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.75
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-(1,4-diazepan-1-yl)pyrimidine-2-carboxamide
CID 10183642
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10183390
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 20597993
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
5-(1,4-diazepan-2-yl)-N-[4-fluoro-2-[(5-fluoro-2-pyridinyl)carbamoyl]phenyl]pyrimidine-2-carboxamide
CID 70000499
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-3,5-difluoro-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 21075304
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
(S)-3-(3-aminopropoxy)-4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]carbamoyl]benzenesulfinyl iodide
CID 143233966
2-[[2-(2-aminoethoxy)-4-(methylsulfamoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide
CID 68571419
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide (CID 21072666) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide is O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ncc(F)cn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide?
The InChIKey is ROOZYWKVVNZTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N5O2/c18-9-1-4-14(21-6-9)25-16(26)12-5-10(19)2-3-13(12)24-17(27)15-22-7-11(20)8-23-15/h1-8H,(H,24,27)(H,21,25,26).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide has a molecular weight of 389.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide is sourced from PubChem (CID 21072666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).