N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

C19H28N4O3 — CID 125168534

IUPACN-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1nccnc1C(=O)N1CCCCC1
InChIInChI=1S/C19H28N4O3/c1-22(11-5-7-15-8-6-14-26-15)18(24)16-17(21-10-9-20-16)19(25)23-12-3-2-4-13-23/h9-10,15H,2-8,11-14H2,1H3/t15-/m0/s1
InChIKeyCPTKTFWKLUFEOB-HNNXBMFYSA-N
MW360.46 g/mol
LogP2.13
Rot. Bonds6

About N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (PubChem CID 125168534) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
PubChem CID125168534
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCN(CCC[C@H]1CCCO1)C(=O)c1nccnc1C(=O)N1CCCCC1
InChIInChI=1S/C19H28N4O3/c1-22(11-5-7-15-8-6-14-26-15)18(24)16-17(21-10-9-20-16)19(25)23-12-3-2-4-13-23/h9-10,15H,2-8,11-14H2,1H3/t15-/m0/s1
InChIKeyCPTKTFWKLUFEOB-HNNXBMFYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70734672
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
N-methyl-N-[3-(oxolan-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91760229
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
N-methyl-4-(1-oxo-2,3-dihydroinden-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 126437748

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (CID 125168534) is N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is CN(CCC[C@H]1CCCO1)C(=O)c1nccnc1C(=O)N1CCCCC1.
What is the InChIKey of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The InChIKey is CPTKTFWKLUFEOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-22(11-5-7-15-8-6-14-26-15)18(24)16-17(21-10-9-20-16)19(25)23-12-3-2-4-13-23/h9-10,15H,2-8,11-14H2,1H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 125168534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).