N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

C17H23N5O2 — CID 125172195

IUPACN-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cnn1C
InChIInChI=1S/C17H23N5O2/c1-12-15(11-19-21(12)2)20-17(24)22-9-6-13(7-10-22)16(23)14-5-3-4-8-18-14/h3-5,8,11,13,16,23H,6-7,9-10H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyRRZJTNFXDIZLPP-INIZCTEOSA-N
MW329.40 g/mol
LogP2.10
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 125172195) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID125172195
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1c(NC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cnn1C
InChIInChI=1S/C17H23N5O2/c1-12-15(11-19-21(12)2)20-17(24)22-9-6-13(7-10-22)16(23)14-5-3-4-8-18-14/h3-5,8,11,13,16,23H,6-7,9-10H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyRRZJTNFXDIZLPP-INIZCTEOSA-N
XLogP2.10
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (CID 125172195) is N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is Cc1c(NC(=O)N2CCC([C@H](O)c3ccccn3)CC2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RRZJTNFXDIZLPP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-15(11-19-21(12)2)20-17(24)22-9-6-13(7-10-22)16(23)14-5-3-4-8-18-14/h3-5,8,11,13,16,23H,6-7,9-10H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125172195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).