N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C23H32N4O — CID 109154591

IUPACN-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H32N4O/c1-16(2)19-7-6-8-20(17(3)4)22(19)25-23(28)18-9-10-21(24-15-18)27-13-11-26(5)12-14-27/h6-10,15-17H,11-14H2,1-5H3,(H,25,28)
InChIKeyPKPGSGSPBOYULX-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.33
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109154591) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109154591
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H32N4O/c1-16(2)19-7-6-8-20(17(3)4)22(19)25-23(28)18-9-10-21(24-15-18)27-13-11-26(5)12-14-27/h6-10,15-17H,11-14H2,1-5H3,(H,25,28)
InChIKeyPKPGSGSPBOYULX-UHFFFAOYSA-N
XLogP4.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159986
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109155174
N-[2,6-di(propan-2-yl)phenyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109279005
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 109154591) is N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is PKPGSGSPBOYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-16(2)19-7-6-8-20(17(3)4)22(19)25-23(28)18-9-10-21(24-15-18)27-13-11-26(5)12-14-27/h6-10,15-17H,11-14H2,1-5H3,(H,25,28).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109154591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).