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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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).