2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide

C15H23N3O2 — CID 39834364

IUPAC2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1N1CCC[C@H](CO)C1
InChIInChI=1S/C15H23N3O2/c1-2-7-17-15(20)13-6-3-8-16-14(13)18-9-4-5-12(10-18)11-19/h3,6,8,12,19H,2,4-5,7,9-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyRCJULDIVPGCUJZ-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.43
Rot. Bonds5

About 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide

2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide (PubChem CID 39834364) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
PubChem CID39834364
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1N1CCC[C@H](CO)C1
InChIInChI=1S/C15H23N3O2/c1-2-7-17-15(20)13-6-3-8-16-14(13)18-9-4-5-12(10-18)11-19/h3,6,8,12,19H,2,4-5,7,9-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyRCJULDIVPGCUJZ-LBPRGKRZSA-N
XLogP1.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-cyclopropyl-2-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 53015810
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
CID 114599581
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide (CID 39834364) is 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cccnc1N1CCC[C@H](CO)C1.
What is the InChIKey of 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide?
The InChIKey is RCJULDIVPGCUJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-7-17-15(20)13-6-3-8-16-14(13)18-9-4-5-12(10-18)11-19/h3,6,8,12,19H,2,4-5,7,9-11H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide?
2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 39834364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).