6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide

C17H21N5O4 — CID 92632097

IUPAC6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnn(CC(=O)NC[C@@H]3CCCO3)c2)cn1
InChIInChI=1S/C17H21N5O4/c1-25-16-5-4-12(7-19-16)17(24)21-13-8-20-22(10-13)11-15(23)18-9-14-3-2-6-26-14/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H,18,23)(H,21,24)/t14-/m0/s1
InChIKeyBLKNNOVIDOGTKD-AWEZNQCLSA-N
MW359.39 g/mol
LogP0.83
Rot. Bonds7

About 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide

6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 92632097) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID92632097
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnn(CC(=O)NC[C@@H]3CCCO3)c2)cn1
InChIInChI=1S/C17H21N5O4/c1-25-16-5-4-12(7-19-16)17(24)21-13-8-20-22(10-13)11-15(23)18-9-14-3-2-6-26-14/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H,18,23)(H,21,24)/t14-/m0/s1
InChIKeyBLKNNOVIDOGTKD-AWEZNQCLSA-N
XLogP0.83
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 92632233
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
1-(6-methoxy-3-pyridinyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7943406
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 52518675
methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520366
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide (CID 92632097) is 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide is COc1ccc(C(=O)Nc2cnn(CC(=O)NC[C@@H]3CCCO3)c2)cn1.
What is the InChIKey of 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is BLKNNOVIDOGTKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-25-16-5-4-12(7-19-16)17(24)21-13-8-20-22(10-13)11-15(23)18-9-14-3-2-6-26-14/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H,18,23)(H,21,24)/t14-/m0/s1.
What are the key properties of 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide?
6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92632097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).