[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone

C19H26N4O — CID 97097041

IUPAC[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2cccn2Cc2cccnc2)C[C@H]1N(C)C
InChIInChI=1S/C19H26N4O/c1-4-16-13-23(14-18(16)21(2)3)19(24)17-8-6-10-22(17)12-15-7-5-9-20-11-15/h5-11,16,18H,4,12-14H2,1-3H3/t16-,18-/m1/s1
InChIKeyUEEHKKVDKABDNH-SJLPKXTDSA-N
MW326.44 g/mol
LogP2.34
Rot. Bonds5

About [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone

[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 97097041) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
PubChem CID97097041
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2cccn2Cc2cccnc2)C[C@H]1N(C)C
InChIInChI=1S/C19H26N4O/c1-4-16-13-23(14-18(16)21(2)3)19(24)17-8-6-10-22(17)12-15-7-5-9-20-11-15/h5-11,16,18H,4,12-14H2,1-3H3/t16-,18-/m1/s1
InChIKeyUEEHKKVDKABDNH-SJLPKXTDSA-N
XLogP2.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone with MolForge

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Related Compounds

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
CID 95346001
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
3-[(3R,4S)-4-(dimethylamino)-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 72926561
(5-chloro-6-ethoxy-3-pyridinyl)-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096978
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 75371666
[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 100871021
methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
CID 24828316
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97213270
4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661996
(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
CID 110194784

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone (CID 97097041) is [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone is CC[C@@H]1CN(C(=O)c2cccn2Cc2cccnc2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is UEEHKKVDKABDNH-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-16-13-23(14-18(16)21(2)3)19(24)17-8-6-10-22(17)12-15-7-5-9-20-11-15/h5-11,16,18H,4,12-14H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone?
[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 97097041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).