4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide

C20H29N5O — CID 110107173

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
SMILESCc1cccc(N2CCCC(NC(=O)CCCn3nc(C)cc3C)C2)n1
InChIInChI=1S/C20H29N5O/c1-15-7-4-9-19(21-15)24-11-5-8-18(14-24)22-20(26)10-6-12-25-17(3)13-16(2)23-25/h4,7,9,13,18H,5-6,8,10-12,14H2,1-3H3,(H,22,26)
InChIKeyJRRVNBXLDLVVLB-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.77
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide (PubChem CID 110107173) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
PubChem CID110107173
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
SMILESCc1cccc(N2CCCC(NC(=O)CCCn3nc(C)cc3C)C2)n1
InChIInChI=1S/C20H29N5O/c1-15-7-4-9-19(21-15)24-11-5-8-18(14-24)22-20(26)10-6-12-25-17(3)13-16(2)23-25/h4,7,9,13,18H,5-6,8,10-12,14H2,1-3H3,(H,22,26)
InChIKeyJRRVNBXLDLVVLB-UHFFFAOYSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124942990
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124985226
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
CID 124998129
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide
CID 91773598
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957148
4-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 110107151

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide (CID 110107173) is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide is Cc1cccc(N2CCCC(NC(=O)CCCn3nc(C)cc3C)C2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide?
The InChIKey is JRRVNBXLDLVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-7-4-9-19(21-15)24-11-5-8-18(14-24)22-20(26)10-6-12-25-17(3)13-16(2)23-25/h4,7,9,13,18H,5-6,8,10-12,14H2,1-3H3,(H,22,26).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide has a molecular weight of 355.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 110107173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).