1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile

C19H22N4O — CID 97222261

IUPAC1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile
SMILESCN(C[C@H]1CCCN1C(=O)c1cc(C#N)cn1C)c1ccccc1
InChIInChI=1S/C19H22N4O/c1-21(16-7-4-3-5-8-16)14-17-9-6-10-23(17)19(24)18-11-15(12-20)13-22(18)2/h3-5,7-8,11,13,17H,6,9-10,14H2,1-2H3/t17-/m1/s1
InChIKeyKXBZZUIKUXTBLQ-QGZVFWFLSA-N
MW322.41 g/mol
LogP2.64
Rot. Bonds4

About 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile

1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile (PubChem CID 97222261) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile
PubChem CID97222261
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile
SMILESCN(C[C@H]1CCCN1C(=O)c1cc(C#N)cn1C)c1ccccc1
InChIInChI=1S/C19H22N4O/c1-21(16-7-4-3-5-8-16)14-17-9-6-10-23(17)19(24)18-11-15(12-20)13-22(18)2/h3-5,7-8,11,13,17H,6,9-10,14H2,1-2H3/t17-/m1/s1
InChIKeyKXBZZUIKUXTBLQ-QGZVFWFLSA-N
XLogP2.64
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 97238740
(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 61106055
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
CID 97041924
3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 97283182
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899755
(2S)-2-[(N-methylanilino)methyl]-N-[2-methyl-5-(propanoylamino)phenyl]pyrrolidine-1-carboxamide
CID 52525145
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
N,1-dimethyl-5-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyrrole-3-sulfonamide
CID 55925471
methyl 1-(4-cyano-1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 75391876
methyl (4R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 97057179
(4-bromo-1-methylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81485094

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile?
The IUPAC name of 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile (CID 97222261) is 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile.
What is the SMILES notation for 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile?
The canonical SMILES for 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile is CN(C[C@H]1CCCN1C(=O)c1cc(C#N)cn1C)c1ccccc1.
What is the InChIKey of 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile?
The InChIKey is KXBZZUIKUXTBLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-21(16-7-4-3-5-8-16)14-17-9-6-10-23(17)19(24)18-11-15(12-20)13-22(18)2/h3-5,7-8,11,13,17H,6,9-10,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile?
1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2R)-2-[(N-methylanilino)methyl]pyrrolidine-1-carbonyl]pyrrole-3-carbonitrile is sourced from PubChem (CID 97222261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).