3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide

C18H26N6O — CID 138042793

IUPAC3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)N3CCC(CN(C)C)C3)cn2)n1
InChIInChI=1S/C18H26N6O/c1-13-9-14(2)24(21-13)17-6-5-16(10-19-17)20-18(25)23-8-7-15(12-23)11-22(3)4/h5-6,9-10,15H,7-8,11-12H2,1-4H3,(H,20,25)
InChIKeyRTLJMRLLVUGOSB-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.30
Rot. Bonds4

About 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide

3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 138042793) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID138042793
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)N3CCC(CN(C)C)C3)cn2)n1
InChIInChI=1S/C18H26N6O/c1-13-9-14(2)24(21-13)17-6-5-16(10-19-17)20-18(25)23-8-7-15(12-23)11-22(3)4/h5-6,9-10,15H,7-8,11-12H2,1-4H3,(H,20,25)
InChIKeyRTLJMRLLVUGOSB-UHFFFAOYSA-N
XLogP2.30
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
3-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55968479
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368
(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 38418637
4-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pentanamide;dihydrochloride
CID 120564625
(3R)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 38418613
(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632728
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397753
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
CID 120502939

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide (CID 138042793) is 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)N3CCC(CN(C)C)C3)cn2)n1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is RTLJMRLLVUGOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-9-14(2)24(21-13)17-6-5-16(10-19-17)20-18(25)23-8-7-15(12-23)11-22(3)4/h5-6,9-10,15H,7-8,11-12H2,1-4H3,(H,20,25).
What are the key properties of 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide?
3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138042793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).