N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide

C24H33N5O2 — CID 46397110

IUPACN-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(NC(=O)Nc3ccc(C)cc3C)cn2)CC1
InChIInChI=1S/C24H33N5O2/c1-5-18(4)26-23(30)19-10-12-29(13-11-19)22-9-7-20(15-25-22)27-24(31)28-21-8-6-16(2)14-17(21)3/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,26,30)(H2,27,28,31)
InChIKeyPGKOILHVOHWTQU-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.47
Rot. Bonds6

About N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide

N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 46397110) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID46397110
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ccc(NC(=O)Nc3ccc(C)cc3C)cn2)CC1
InChIInChI=1S/C24H33N5O2/c1-5-18(4)26-23(30)19-10-12-29(13-11-19)22-9-7-20(15-25-22)27-24(31)28-21-8-6-16(2)14-17(21)3/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,26,30)(H2,27,28,31)
InChIKeyPGKOILHVOHWTQU-UHFFFAOYSA-N
XLogP4.47
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-1-[5-[(3,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide
CID 50842392
N-butan-2-yl-1-[5-[(4-cyanobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxamide
CID 50842540
1-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-(2,5-dimethylphenyl)urea
CID 46053542
1-(2,4-dimethylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 91968079
N-butan-2-yl-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53006937
N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025183
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992699
1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 50842295
1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55887177
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide (CID 46397110) is N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2ccc(NC(=O)Nc3ccc(C)cc3C)cn2)CC1.
What is the InChIKey of N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is PGKOILHVOHWTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-5-18(4)26-23(30)19-10-12-29(13-11-19)22-9-7-20(15-25-22)27-24(31)28-21-8-6-16(2)14-17(21)3/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide?
N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[5-[(2,4-dimethylphenyl)carbamoylamino]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 46397110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).