N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide

C23H21F3N6O2 — CID 69454094

IUPACN-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)Nc3c(F)cccc3F)CC2)nc1)Nc1ccccc1F
InChIInChI=1S/C23H21F3N6O2/c24-16-4-1-2-7-19(16)29-22(33)28-15-8-9-20(27-14-15)31-10-12-32(13-11-31)23(34)30-21-17(25)5-3-6-18(21)26/h1-9,14H,10-13H2,(H,30,34)(H2,28,29,33)
InChIKeyLAIVECHDKXSMNU-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.50
Rot. Bonds4

About N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide

N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 69454094) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID69454094
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC NameN-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)Nc3c(F)cccc3F)CC2)nc1)Nc1ccccc1F
InChIInChI=1S/C23H21F3N6O2/c24-16-4-1-2-7-19(16)29-22(33)28-15-8-9-20(27-14-15)31-10-12-32(13-11-31)23(34)30-21-17(25)5-3-6-18(21)26/h1-9,14H,10-13H2,(H,30,34)(H2,28,29,33)
InChIKeyLAIVECHDKXSMNU-UHFFFAOYSA-N
XLogP4.50
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
1-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 42850132
1-(2-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790143
4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
CID 69450119
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69448676
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 67293734
1-(2-chlorophenyl)-3-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053467
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-oxazole-5-carboxamide
CID 91398370
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(E)-2-phenylethenyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212709
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
tert-butyl 4-[5-[(2-methoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylate
CID 69454140

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide (CID 69454094) is N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Nc3c(F)cccc3F)CC2)nc1)Nc1ccccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is LAIVECHDKXSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c24-16-4-1-2-7-19(16)29-22(33)28-15-8-9-20(27-14-15)31-10-12-32(13-11-31)23(34)30-21-17(25)5-3-6-18(21)26/h1-9,14H,10-13H2,(H,30,34)(H2,28,29,33).
What are the key properties of N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide?
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 69454094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).