N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide

C18H25N5O3S — CID 92621933

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)n[nH]1
InChIInChI=1S/C18H25N5O3S/c1-13-9-16(21-20-13)12-22(2)18(24)14-6-7-17(19-10-14)15-5-4-8-23(11-15)27(3,25)26/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeySFUWFTYPLVLMQO-HNNXBMFYSA-N
MW391.50 g/mol
LogP1.52
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide (PubChem CID 92621933) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide
PubChem CID92621933
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)n[nH]1
InChIInChI=1S/C18H25N5O3S/c1-13-9-16(21-20-13)12-22(2)18(24)14-6-7-17(19-10-14)15-5-4-8-23(11-15)27(3,25)26/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeySFUWFTYPLVLMQO-HNNXBMFYSA-N
XLogP1.52
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-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

N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 92621927
3-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42518079
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 92623231
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide
CID 92621993
4-methyl-6-(5-methyl-1H-pyrazol-3-yl)-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 124944043
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 97069118
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide (CID 92621933) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide is Cc1cc(CN(C)C(=O)c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is SFUWFTYPLVLMQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-13-9-16(21-20-13)12-22(2)18(24)14-6-7-17(19-10-14)15-5-4-8-23(11-15)27(3,25)26/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92621933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).