N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C16H11F3N6O2 — CID 154654515

IUPACN-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(C(F)(F)F)nc1)c1cccnc1
InChIInChI=1S/C16H11F3N6O2/c17-16(18,19)12-4-3-10(7-21-12)23-15(27)13-11(8-22-25-13)24-14(26)9-2-1-5-20-6-9/h1-8H,(H,22,25)(H,23,27)(H,24,26)
InChIKeyWMKWPSGUDPQOBO-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.72
Rot. Bonds4

About N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654515) has the molecular formula C16H11F3N6O2 and a molecular weight of 376.30 g/mol. Its IUPAC name is N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654515
Molecular FormulaC16H11F3N6O2
Molecular Weight376.30 g/mol
Exact Mass376.09
IUPAC NameN-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(C(F)(F)F)nc1)c1cccnc1
InChIInChI=1S/C16H11F3N6O2/c17-16(18,19)12-4-3-10(7-21-12)23-15(27)13-11(8-22-25-13)24-14(26)9-2-1-5-20-6-9/h1-8H,(H,22,25)(H,23,27)(H,24,26)
InChIKeyWMKWPSGUDPQOBO-UHFFFAOYSA-N
XLogP2.72
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154654414
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654345
N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154998711
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154654222
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
N-(4-fluorophenyl)-4-[(3-nitrobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59733390
5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 155009996
5-chloro-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 155010079
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079

Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654515) is N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(C(F)(F)F)nc1)c1cccnc1.
What is the InChIKey of N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is WMKWPSGUDPQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O2/c17-16(18,19)12-4-3-10(7-21-12)23-15(27)13-11(8-22-25-13)24-14(26)9-2-1-5-20-6-9/h1-8H,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).