2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride

C17H27ClN4O3 — CID 154898059

IUPAC2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(c2ncccc2C(=O)NC)C[C@@H]1NC(=O)CCO.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-3-5-12-10-21(11-14(12)20-15(23)7-9-22)16-13(17(24)18-2)6-4-8-19-16;/h4,6,8,12,14,22H,3,5,7,9-11H2,1-2H3,(H,18,24)(H,20,23);1H/t12-,14-;/m0./s1
InChIKeyDIWIOEXDMFMFBM-KYSPHBLOSA-N
MW370.88 g/mol
LogP0.97
Rot. Bonds7

About 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride

2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride (PubChem CID 154898059) has the molecular formula C17H27ClN4O3 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride
PubChem CID154898059
Molecular FormulaC17H27ClN4O3
Molecular Weight370.88 g/mol
Exact Mass370.18
IUPAC Name2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(c2ncccc2C(=O)NC)C[C@@H]1NC(=O)CCO.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-3-5-12-10-21(11-14(12)20-15(23)7-9-22)16-13(17(24)18-2)6-4-8-19-16;/h4,6,8,12,14,22H,3,5,7,9-11H2,1-2H3,(H,18,24)(H,20,23);1H/t12-,14-;/m0./s1
InChIKeyDIWIOEXDMFMFBM-KYSPHBLOSA-N
XLogP0.97
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
CID 72902143
2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride
CID 154898772
2-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 72862830
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide
CID 133133456
(3S,4R)-1-[3-(methylcarbamoyl)-2-pyridinyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 70714830
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133131844
2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
CID 39834364

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride (CID 154898059) is 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride is CCC[C@H]1CN(c2ncccc2C(=O)NC)C[C@@H]1NC(=O)CCO.Cl.
What is the InChIKey of 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride?
The InChIKey is DIWIOEXDMFMFBM-KYSPHBLOSA-N. The full InChI is InChI=1S/C17H26N4O3.ClH/c1-3-5-12-10-21(11-14(12)20-15(23)7-9-22)16-13(17(24)18-2)6-4-8-19-16;/h4,6,8,12,14,22H,3,5,7,9-11H2,1-2H3,(H,18,24)(H,20,23);1H/t12-,14-;/m0./s1.
What are the key properties of 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride?
2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 154898059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).