6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C19H29N7O — CID 95876992

IUPAC6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)Cc1nnc([C@@H]2CCCN(c3ccc(C(=O)N(C)C)cn3)C2)n1C
InChIInChI=1S/C19H29N7O/c1-23(2)13-17-21-22-18(25(17)5)15-7-6-10-26(12-15)16-9-8-14(11-20-16)19(27)24(3)4/h8-9,11,15H,6-7,10,12-13H2,1-5H3/t15-/m1/s1
InChIKeyOXRVEBPAWYYENF-OAHLLOKOSA-N
MW371.49 g/mol
LogP1.36
Rot. Bonds5

About 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 95876992) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID95876992
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)Cc1nnc([C@@H]2CCCN(c3ccc(C(=O)N(C)C)cn3)C2)n1C
InChIInChI=1S/C19H29N7O/c1-23(2)13-17-21-22-18(25(17)5)15-7-6-10-26(12-15)16-9-8-14(11-20-16)19(27)24(3)4/h8-9,11,15H,6-7,10,12-13H2,1-5H3/t15-/m1/s1
InChIKeyOXRVEBPAWYYENF-OAHLLOKOSA-N
XLogP1.36
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 70722106
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95867068
cyclopropyl-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70752240
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95860779
5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95873641
1-[3-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 70783500
[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95872332
2,1,3-benzoxadiazol-5-yl-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95894833
[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70713709
2,1,3-benzoxadiazol-5-yl-[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95894834
7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 95868685

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 95876992) is 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)Cc1nnc([C@@H]2CCCN(c3ccc(C(=O)N(C)C)cn3)C2)n1C.
What is the InChIKey of 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is OXRVEBPAWYYENF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N7O/c1-23(2)13-17-21-22-18(25(17)5)15-7-6-10-26(12-15)16-9-8-14(11-20-16)19(27)24(3)4/h8-9,11,15H,6-7,10,12-13H2,1-5H3/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 95876992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).