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

C21H30N6O — CID 10786159

IUPACN,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCc1cnccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C21H30N6O/c1-17-16-22-10-7-19(17)27-14-12-26(13-15-27)11-5-9-24-20-18(6-4-8-23-20)21(28)25(2)3/h4,6-8,10,16H,5,9,11-15H2,1-3H3,(H,23,24)
InChIKeyJGKIHBNSDMUTKS-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.11
Rot. Bonds7

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

N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (PubChem CID 10786159) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
PubChem CID10786159
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCc1cnccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C21H30N6O/c1-17-16-22-10-7-19(17)27-14-12-26(13-15-27)11-5-9-24-20-18(6-4-8-23-20)21(28)25(2)3/h4,6-8,10,16H,5,9,11-15H2,1-3H3,(H,23,24)
InChIKeyJGKIHBNSDMUTKS-UHFFFAOYSA-N
XLogP2.11
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (CID 10786159) is N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is Cc1cnccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The InChIKey is JGKIHBNSDMUTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-17-16-22-10-7-19(17)27-14-12-26(13-15-27)11-5-9-24-20-18(6-4-8-23-20)21(28)25(2)3/h4,6-8,10,16H,5,9,11-15H2,1-3H3,(H,23,24).
What are the key properties of N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10786159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).