N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C20H27N5O — CID 119047944

IUPACN-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C)ccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N5O/c1-4-21-18-13-15(2)5-6-17(18)23-20(26)16-7-8-22-19(14-16)25-11-9-24(3)10-12-25/h5-8,13-14,21H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyCLJNCCKCHARCEE-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 119047944) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID119047944
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C)ccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N5O/c1-4-21-18-13-15(2)5-6-17(18)23-20(26)16-7-8-22-19(14-16)25-11-9-24(3)10-12-25/h5-8,13-14,21H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyCLJNCCKCHARCEE-UHFFFAOYSA-N
XLogP2.83
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 126780133
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
2-(4-methylpiperazin-1-yl)-N-(2-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 126768033
N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168773
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 136554028
N-(2-chloro-4-methylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165610

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 119047944) is N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CCNc1cc(C)ccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is CLJNCCKCHARCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-21-18-13-15(2)5-6-17(18)23-20(26)16-7-8-22-19(14-16)25-11-9-24(3)10-12-25/h5-8,13-14,21H,4,9-12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 119047944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).