(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide

C22H29N5O2 — CID 92580652

IUPAC(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCC(C)c1nc(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H29N5O2/c1-15(2)20-18(16-5-9-23-10-6-16)14-24-22(26-20)27-11-7-17(8-12-27)25-21(28)19-4-3-13-29-19/h5-6,9-10,14-15,17,19H,3-4,7-8,11-13H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyNXLSLOMUADZGPD-IBGZPJMESA-N
MW395.51 g/mol
LogP2.93
Rot. Bonds5

About (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide

(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 92580652) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide
PubChem CID92580652
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCC(C)c1nc(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)ncc1-c1ccncc1
InChIInChI=1S/C22H29N5O2/c1-15(2)20-18(16-5-9-23-10-6-16)14-24-22(26-20)27-11-7-17(8-12-27)25-21(28)19-4-3-13-29-19/h5-6,9-10,14-15,17,19H,3-4,7-8,11-13H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyNXLSLOMUADZGPD-IBGZPJMESA-N
XLogP2.93
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-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

N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 92580651
trans-(1R,2R)-2-methyl-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 92583674
(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 92554375
[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110219765
1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 46960984
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
N-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 53171399
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-[2-[5-(6-methyl-3-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]oxolane-2-carboxamide
CID 110242829
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide (CID 92580652) is (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide is CC(C)c1nc(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)ncc1-c1ccncc1.
What is the InChIKey of (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is NXLSLOMUADZGPD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15(2)20-18(16-5-9-23-10-6-16)14-24-22(26-20)27-11-7-17(8-12-27)25-21(28)19-4-3-13-29-19/h5-6,9-10,14-15,17,19H,3-4,7-8,11-13H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide?
(2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-propan-2-yl-5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 92580652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).