(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide

C24H29N5O2 — CID 42099019

IUPAC(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C24H29N5O2/c1-18(2)29-17-19(14-26-29)16-28-13-7-6-10-22(28)24(30)27-20-11-12-23(25-15-20)31-21-8-4-3-5-9-21/h3-5,8-9,11-12,14-15,17-18,22H,6-7,10,13,16H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyYTDUNEMLLWNCLY-JOCHJYFZSA-N
MW419.53 g/mol
LogP4.64
Rot. Bonds7

About (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide

(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 42099019) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
PubChem CID42099019
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C24H29N5O2/c1-18(2)29-17-19(14-26-29)16-28-13-7-6-10-22(28)24(30)27-20-11-12-23(25-15-20)31-21-8-4-3-5-9-21/h3-5,8-9,11-12,14-15,17-18,22H,6-7,10,13,16H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyYTDUNEMLLWNCLY-JOCHJYFZSA-N
XLogP4.64
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
CID 42198878
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411
(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 25274218
1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 45197081
(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 42286968
(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42192308
(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 97279481
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide
CID 75515885

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide (CID 42099019) is (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide is CC(C)n1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1.
What is the InChIKey of (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is YTDUNEMLLWNCLY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18(2)29-17-19(14-26-29)16-28-13-7-6-10-22(28)24(30)27-20-11-12-23(25-15-20)31-21-8-4-3-5-9-21/h3-5,8-9,11-12,14-15,17-18,22H,6-7,10,13,16H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide?
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 42099019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).