(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C19H24N4O — CID 155904475

IUPAC(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ncccc1CN1CCC[C@H]1C(N)=O
InChIInChI=1S/C19H24N4O/c1-22(13-15-7-3-2-4-8-15)19-16(9-5-11-21-19)14-23-12-6-10-17(23)18(20)24/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H2,20,24)/t17-/m0/s1
InChIKeyGGEMMYXUDZDOBY-KRWDZBQOSA-N
MW324.43 g/mol
LogP2.17
Rot. Bonds6

About (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 155904475) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID155904475
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ncccc1CN1CCC[C@H]1C(N)=O
InChIInChI=1S/C19H24N4O/c1-22(13-15-7-3-2-4-8-15)19-16(9-5-11-21-19)14-23-12-6-10-17(23)18(20)24/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H2,20,24)/t17-/m0/s1
InChIKeyGGEMMYXUDZDOBY-KRWDZBQOSA-N
XLogP2.17
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 62470053
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43576049
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
CID 56760437
1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 75398987
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 97158502

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 155904475) is (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is CN(Cc1ccccc1)c1ncccc1CN1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is GGEMMYXUDZDOBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22(13-15-7-3-2-4-8-15)19-16(9-5-11-21-19)14-23-12-6-10-17(23)18(20)24/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H2,20,24)/t17-/m0/s1.
What are the key properties of (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155904475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).