N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

C23H34N6O — CID 117094357

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccnc(N2CCN(c3ccccn3)CC2)c1)C(C)C
InChIInChI=1S/C23H34N6O/c1-18(2)29(19(3)4)12-11-26-23(30)20-8-10-25-22(17-20)28-15-13-27(14-16-28)21-7-5-6-9-24-21/h5-10,17-19H,11-16H2,1-4H3,(H,26,30)
InChIKeyFSHVZWOKADSHET-UHFFFAOYSA-N
MW410.57 g/mol
LogP2.65
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 117094357) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID117094357
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccnc(N2CCN(c3ccccn3)CC2)c1)C(C)C
InChIInChI=1S/C23H34N6O/c1-18(2)29(19(3)4)12-11-26-23(30)20-8-10-25-22(17-20)28-15-13-27(14-16-28)21-7-5-6-9-24-21/h5-10,17-19H,11-16H2,1-4H3,(H,26,30)
InChIKeyFSHVZWOKADSHET-UHFFFAOYSA-N
XLogP2.65
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (CID 117094357) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is CC(C)N(CCNC(=O)c1ccnc(N2CCN(c3ccccn3)CC2)c1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is FSHVZWOKADSHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-18(2)29(19(3)4)12-11-26-23(30)20-8-10-25-22(17-20)28-15-13-27(14-16-28)21-7-5-6-9-24-21/h5-10,17-19H,11-16H2,1-4H3,(H,26,30).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 410.57 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 117094357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).