1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide

C21H20N6O2 — CID 30884800

IUPAC1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H20N6O2/c28-20(24-17-6-3-10-22-19(17)27-12-4-11-23-27)15-8-13-26(14-9-15)21-25-16-5-1-2-7-18(16)29-21/h1-7,10-12,15H,8-9,13-14H2,(H,24,28)
InChIKeyXODPWRYEARFNEV-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.26
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 30884800) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
PubChem CID30884800
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H20N6O2/c28-20(24-17-6-3-10-22-19(17)27-12-4-11-23-27)15-8-13-26(14-9-15)21-25-16-5-1-2-7-18(16)29-21/h1-7,10-12,15H,8-9,13-14H2,(H,24,28)
InChIKeyXODPWRYEARFNEV-UHFFFAOYSA-N
XLogP3.26
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 60576710
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 60553157
methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
3-amino-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 66008743
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 16597479
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide (CID 30884800) is 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide is O=C(Nc1cccnc1-n1cccn1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is XODPWRYEARFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-20(24-17-6-3-10-22-19(17)27-12-4-11-23-27)15-8-13-26(14-9-15)21-25-16-5-1-2-7-18(16)29-21/h1-7,10-12,15H,8-9,13-14H2,(H,24,28).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 30884800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).