2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride

C19H26ClN3O3 — CID 154897809

IUPAC2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(C(=O)O)c(N2C[C@H](NC(=O)C3CCC3)[C@@H](C3CC3)C2)n1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-11-5-8-14(19(24)25)17(20-11)22-9-15(12-6-7-12)16(10-22)21-18(23)13-3-2-4-13;/h5,8,12-13,15-16H,2-4,6-7,9-10H2,1H3,(H,21,23)(H,24,25);1H/t15-,16+;/m1./s1
InChIKeyBOVHZYRQJOHYTO-RCPFAERMSA-N
MW379.89 g/mol
LogP2.64
Rot. Bonds5

About 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride

2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 154897809) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride
PubChem CID154897809
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride
SMILESCc1ccc(C(=O)O)c(N2C[C@H](NC(=O)C3CCC3)[C@@H](C3CC3)C2)n1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-11-5-8-14(19(24)25)17(20-11)22-9-15(12-6-7-12)16(10-22)21-18(23)13-3-2-4-13;/h5,8,12-13,15-16H,2-4,6-7,9-10H2,1H3,(H,21,23)(H,24,25);1H/t15-,16+;/m1./s1
InChIKeyBOVHZYRQJOHYTO-RCPFAERMSA-N
XLogP2.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

N-[(3R,4S)-4-cyclopropyl-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 72885762
2-(3,5-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62710003
2-[(3S,4R)-3-acetamido-4-(4-methylphenyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 70772022
N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 72858901
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 63174772
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
N-[(3R,4S)-4-cyclopropyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]cyclohexanecarboxamide
CID 72851376
2-(4,4-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62930201
6-[(3R,4S)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 133133387
6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
CID 55142313
2-(azepan-1-yl)-6-(cyclopropanecarbonylamino)pyridine-3-carboxylic acid
CID 175884373
1-(4,6-dimethylpyrimidin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 7435402

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride (CID 154897809) is 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride is Cc1ccc(C(=O)O)c(N2C[C@H](NC(=O)C3CCC3)[C@@H](C3CC3)C2)n1.Cl.
What is the InChIKey of 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is BOVHZYRQJOHYTO-RCPFAERMSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-11-5-8-14(19(24)25)17(20-11)22-9-15(12-6-7-12)16(10-22)21-18(23)13-3-2-4-13;/h5,8,12-13,15-16H,2-4,6-7,9-10H2,1H3,(H,21,23)(H,24,25);1H/t15-,16+;/m1./s1.
What are the key properties of 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride?
2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-(cyclobutanecarbonylamino)-4-cyclopropylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 154897809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).