2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide

C19H29N3O3 — CID 95214166

IUPAC2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC[C@@H]2CCCN(C3CCOCC3)C2)ccn1
InChIInChI=1S/C19H29N3O3/c1-24-18-13-16(5-9-20-18)19(23)21-8-4-15-3-2-10-22(14-15)17-6-11-25-12-7-17/h5,9,13,15,17H,2-4,6-8,10-12,14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyJXMGBQIEBHQPEC-HNNXBMFYSA-N
MW347.46 g/mol
LogP2.10
Rot. Bonds6

About 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide

2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide (PubChem CID 95214166) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
PubChem CID95214166
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC[C@@H]2CCCN(C3CCOCC3)C2)ccn1
InChIInChI=1S/C19H29N3O3/c1-24-18-13-16(5-9-20-18)19(23)21-8-4-15-3-2-10-22(14-15)17-6-11-25-12-7-17/h5,9,13,15,17H,2-4,6-8,10-12,14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyJXMGBQIEBHQPEC-HNNXBMFYSA-N
XLogP2.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
1-(4-methylphenyl)-3-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]urea
CID 95217348
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72937225
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56747349
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-amino-N-[2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95388316
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124991520

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide (CID 95214166) is 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide is COc1cc(C(=O)NCC[C@@H]2CCCN(C3CCOCC3)C2)ccn1.
What is the InChIKey of 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is JXMGBQIEBHQPEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-18-13-16(5-9-20-18)19(23)21-8-4-15-3-2-10-22(14-15)17-6-11-25-12-7-17/h5,9,13,15,17H,2-4,6-8,10-12,14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 95214166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).