(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide

C15H26N4O — CID 97028218

IUPAC(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)NCc2cccn2C)C1
InChIInChI=1S/C15H26N4O/c1-4-17(2)11-13-7-9-19(12-13)15(20)16-10-14-6-5-8-18(14)3/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyRMVUNWDXZWORGR-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.51
Rot. Bonds5

About (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide

(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97028218) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97028218
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C[C@@H]1CCN(C(=O)NCc2cccn2C)C1
InChIInChI=1S/C15H26N4O/c1-4-17(2)11-13-7-9-19(12-13)15(20)16-10-14-6-5-8-18(14)3/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyRMVUNWDXZWORGR-ZDUSSCGKSA-N
XLogP1.51
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
CID 97099166
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-ethylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 97221170
1-[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 95782518
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 95786677
tert-butyl 3-[[(1-methylpyrrol-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 75503515
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 95786491
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2R)-1-(3-fluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 129378442
N-[(1-methylpyrrol-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71924347
6-[3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]naphthalene-2-carboxylic acid
CID 166289705
(3S)-3-[(dimethylamino)methyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99627252

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide (CID 97028218) is (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide is CCN(C)C[C@@H]1CCN(C(=O)NCc2cccn2C)C1.
What is the InChIKey of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RMVUNWDXZWORGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-17(2)11-13-7-9-19(12-13)15(20)16-10-14-6-5-8-18(14)3/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide?
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97028218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).