4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide

C24H29N5O — CID 24791539

IUPAC4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H29N5O/c30-24(11-6-9-20-7-2-1-3-8-20)27-23-12-16-26-29(23)22-13-17-28(18-14-22)19-21-10-4-5-15-25-21/h1-5,7-8,10,12,15-16,22H,6,9,11,13-14,17-19H2,(H,27,30)
InChIKeyRYKRMYDCEBNADS-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.08
Rot. Bonds8

About 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide

4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 24791539) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID24791539
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H29N5O/c30-24(11-6-9-20-7-2-1-3-8-20)27-23-12-16-26-29(23)22-13-17-28(18-14-22)19-21-10-4-5-15-25-21/h1-5,7-8,10,12,15-16,22H,6,9,11,13-14,17-19H2,(H,27,30)
InChIKeyRYKRMYDCEBNADS-UHFFFAOYSA-N
XLogP4.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Apinocaltamide
CID 118560618
(R)-2-(((S)-2-(4-Cyanophenyl)propyl)amino)-N-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)-2-phenylacetamide
CID 146014965
(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
CID 146014966
(4-((6-(1H-pyrazol-3-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)(2-fluoro-3-(trifluoromethyl)phenyl)methanone
CID 11705035
(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 11988837
4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 25227472
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
4-[4-(3,5-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 57749966
4-[4-(3,4-Difluorophenyl)-2-pyrimidinyl]-N-3-pyridazinyl-1-piperazinecarboxamide
CID 57749996
4-[4-(2,3-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 57750000
4-[4-(2,5-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 57750004
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 24791539) is 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide is O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is RYKRMYDCEBNADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c30-24(11-6-9-20-7-2-1-3-8-20)27-23-12-16-26-29(23)22-13-17-28(18-14-22)19-21-10-4-5-15-25-21/h1-5,7-8,10,12,15-16,22H,6,9,11,13-14,17-19H2,(H,27,30).
What are the key properties of 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 403.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 24791539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).