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

C24H35N5O — CID 10764021

IUPACN,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C24H35N5O/c1-4-9-20-10-5-6-12-22(20)29-18-16-28(17-19-29)15-8-14-26-23-21(11-7-13-25-23)24(30)27(2)3/h5-7,10-13H,4,8-9,14-19H2,1-3H3,(H,25,26)
InChIKeyRVLXUVMFCDZMQX-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.36
Rot. Bonds9

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

N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (PubChem CID 10764021) 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-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
PubChem CID10764021
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC NameN,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C24H35N5O/c1-4-9-20-10-5-6-12-22(20)29-18-16-28(17-19-29)15-8-14-26-23-21(11-7-13-25-23)24(30)27(2)3/h5-7,10-13H,4,8-9,14-19H2,1-3H3,(H,25,26)
InChIKeyRVLXUVMFCDZMQX-UHFFFAOYSA-N
XLogP3.36
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.36
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

Nevirapine
CID 4463
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Motesanib
CID 11667893
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Niaprazine
CID 71919
Prt-060318
CID 11493841
N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
BPKDi
CID 46901383
Unii-O3pen5V8WL
CID 453331
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (CID 10764021) is N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is CCCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The InChIKey is RVLXUVMFCDZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-4-9-20-10-5-6-12-22(20)29-18-16-28(17-19-29)15-8-14-26-23-21(11-7-13-25-23)24(30)27(2)3/h5-7,10-13H,4,8-9,14-19H2,1-3H3,(H,25,26).
What are the key properties of N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 3.36, 9 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-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10764021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).