(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide

C25H29N5O2 — CID 42198878

IUPAC(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
SMILESCCCc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C25H29N5O2/c1-2-8-23-26-15-19(16-27-23)18-30-14-7-6-11-22(30)25(31)29-20-12-13-24(28-17-20)32-21-9-4-3-5-10-21/h3-5,9-10,12-13,15-17,22H,2,6-8,11,14,18H2,1H3,(H,29,31)/t22-/m0/s1
InChIKeyLIWRKWAGODORBQ-QFIPXVFZSA-N
MW431.54 g/mol
LogP4.61
Rot. Bonds8

About (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide

(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide (PubChem CID 42198878) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
PubChem CID42198878
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
SMILESCCCc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C25H29N5O2/c1-2-8-23-26-15-19(16-27-23)18-30-14-7-6-11-22(30)25(31)29-20-12-13-24(28-17-20)32-21-9-4-3-5-10-21/h3-5,9-10,12-13,15-17,22H,2,6-8,11,14,18H2,1H3,(H,29,31)/t22-/m0/s1
InChIKeyLIWRKWAGODORBQ-QFIPXVFZSA-N
XLogP4.61
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 42099019
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411
1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 45197081
(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 25274218
(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 42286968
1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 45208265
(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 97279481
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
1-(1,2-oxazol-3-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 42519623
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
1-(furan-2-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24793063

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide (CID 42198878) is (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide is CCCc1ncc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1.
What is the InChIKey of (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide?
The InChIKey is LIWRKWAGODORBQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-8-23-26-15-19(16-27-23)18-30-14-7-6-11-22(30)25(31)29-20-12-13-24(28-17-20)32-21-9-4-3-5-10-21/h3-5,9-10,12-13,15-17,22H,2,6-8,11,14,18H2,1H3,(H,29,31)/t22-/m0/s1.
What are the key properties of (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide?
(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 42198878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).