N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C20H26N6O2 — CID 136554028

IUPACN-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCN(C(C)=O)c1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C20H26N6O2/c1-4-26(15(2)27)18-6-5-17(14-22-18)23-20(28)16-7-8-21-19(13-16)25-11-9-24(3)10-12-25/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,28)
InChIKeyMQTHZDASUPNVBA-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.85
Rot. Bonds5

About N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 136554028) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID136554028
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCN(C(C)=O)c1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C20H26N6O2/c1-4-26(15(2)27)18-6-5-17(14-22-18)23-20(28)16-7-8-21-19(13-16)25-11-9-24(3)10-12-25/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,28)
InChIKeyMQTHZDASUPNVBA-UHFFFAOYSA-N
XLogP1.85
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109174046
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 120605603
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
N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119047944
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 170418675
N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590492
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800

Frequently Asked Questions

What is the IUPAC name of N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 136554028) is N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CCN(C(C)=O)c1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cn1.
What is the InChIKey of N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is MQTHZDASUPNVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-4-26(15(2)27)18-6-5-17(14-22-18)23-20(28)16-7-8-21-19(13-16)25-11-9-24(3)10-12-25/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,28).
What are the key properties of N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 136554028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).