N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide

C26H26N4O2 — CID 176510162

IUPACN-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
SMILESCC#CCC(C(=O)Nc1cc(C(=O)NC)cnc1Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-4-5-14-21(19-12-7-6-8-13-19)26(32)30-23-16-20(25(31)27-3)17-28-24(23)29-22-15-10-9-11-18(22)2/h6-13,15-17,21H,14H2,1-3H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyLSQRMYJXQJZKQA-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.63
Rot. Bonds7

About N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide

N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide (PubChem CID 176510162) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
PubChem CID176510162
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
SMILESCC#CCC(C(=O)Nc1cc(C(=O)NC)cnc1Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-4-5-14-21(19-12-7-6-8-13-19)26(32)30-23-16-20(25(31)27-3)17-28-24(23)29-22-15-10-9-11-18(22)2/h6-13,15-17,21H,14H2,1-3H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyLSQRMYJXQJZKQA-UHFFFAOYSA-N
XLogP4.63
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
CID 176510169
5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 176510201
N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176510121
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512450
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512413
5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512347
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
N-[2-(2-methylanilino)-5-(methylcarbamothioyl)-3-pyridinyl]-1-benzothiophene-3-carboxamide
CID 176510139

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide (CID 176510162) is N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide is CC#CCC(C(=O)Nc1cc(C(=O)NC)cnc1Nc1ccccc1C)c1ccccc1.
What is the InChIKey of N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide?
The InChIKey is LSQRMYJXQJZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-4-5-14-21(19-12-7-6-8-13-19)26(32)30-23-16-20(25(31)27-3)17-28-24(23)29-22-15-10-9-11-18(22)2/h6-13,15-17,21H,14H2,1-3H3,(H,27,31)(H,28,29)(H,30,32).
What are the key properties of N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide?
N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 176510162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).