N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

C24H35N5O — CID 10645210

IUPACN,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C24H35N5O/c1-19(2)20-9-5-6-11-22(20)29-17-15-28(16-18-29)14-8-13-26-23-21(10-7-12-25-23)24(30)27(3)4/h5-7,9-12,19H,8,13-18H2,1-4H3,(H,25,26)
InChIKeyYTHHMIXZTYAFQZ-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.53
Rot. Bonds8

About N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (PubChem CID 10645210) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
PubChem CID10645210
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC NameN,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C24H35N5O/c1-19(2)20-9-5-6-11-22(20)29-17-15-28(16-18-29)14-8-13-26-23-21(10-7-12-25-23)24(30)27(3)4/h5-7,9-12,19H,8,13-18H2,1-4H3,(H,25,26)
InChIKeyYTHHMIXZTYAFQZ-UHFFFAOYSA-N
XLogP3.53
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
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N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
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XL888
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5-((R)-sec-Butylamino)-N1-((1R,3S,5S)-8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo(3.2.1)octan-3-yl)-2-methylterephthalamide
CID 60147023
2-(butan-2-ylamino)-4-N-[8-[5-(cyclopropanecarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylbenzene-1,4-dicarboxamide
CID 121595951
BPKDi
CID 46901383
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (CID 10645210) is N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is CC(C)c1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The InChIKey is YTHHMIXZTYAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-19(2)20-9-5-6-11-22(20)29-17-15-28(16-18-29)14-8-13-26-23-21(10-7-12-25-23)24(30)27(3)4/h5-7,9-12,19H,8,13-18H2,1-4H3,(H,25,26).
What are the key properties of N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).