(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide

C19H25N5O — CID 129342529

IUPAC(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCc1ccncc1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1
InChIInChI=1S/C19H25N5O/c1-15-5-8-21-11-18(15)22-19(25)24-9-6-17(14-24)13-23(2)12-16-4-3-7-20-10-16/h3-5,7-8,10-11,17H,6,9,12-14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyUGKAAOOSSYVVNL-KRWDZBQOSA-N
MW339.44 g/mol
LogP2.77
Rot. Bonds5

About (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide

(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 129342529) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID129342529
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCc1ccncc1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1
InChIInChI=1S/C19H25N5O/c1-15-5-8-21-11-18(15)22-19(25)24-9-6-17(14-24)13-23(2)12-16-4-3-7-20-10-16/h3-5,7-8,10-11,17H,6,9,12-14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyUGKAAOOSSYVVNL-KRWDZBQOSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129400820
(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 52527257
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129401079
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401008
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129400971
1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]cycloheptane-1-carboxylic acid
CID 136552707
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
(2S)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-methylsulfanylbutan-1-one
CID 129401051
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 128997703

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide (CID 129342529) is (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide is Cc1ccncc1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1.
What is the InChIKey of (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is UGKAAOOSSYVVNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-5-8-21-11-18(15)22-19(25)24-9-6-17(14-24)13-23(2)12-16-4-3-7-20-10-16/h3-5,7-8,10-11,17H,6,9,12-14H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide?
(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129342529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).