N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide

C28H25N5O — CID 50750861

IUPACN-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
SMILESCc1cccc(NC(c2ccccn2)c2c(C)[nH]c3ccc(NC(=O)c4ccccc4)cc23)n1
InChIInChI=1S/C28H25N5O/c1-18-9-8-13-25(30-18)33-27(24-12-6-7-16-29-24)26-19(2)31-23-15-14-21(17-22(23)26)32-28(34)20-10-4-3-5-11-20/h3-17,27,31H,1-2H3,(H,30,33)(H,32,34)
InChIKeyGEHFKRATFUUQHB-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.03
Rot. Bonds6

About N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide

N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide (PubChem CID 50750861) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
PubChem CID50750861
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC NameN-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
SMILESCc1cccc(NC(c2ccccn2)c2c(C)[nH]c3ccc(NC(=O)c4ccccc4)cc23)n1
InChIInChI=1S/C28H25N5O/c1-18-9-8-13-25(30-18)33-27(24-12-6-7-16-29-24)26-19(2)31-23-15-14-21(17-22(23)26)32-28(34)20-10-4-3-5-11-20/h3-17,27,31H,1-2H3,(H,30,33)(H,32,34)
InChIKeyGEHFKRATFUUQHB-UHFFFAOYSA-N
XLogP6.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-methyl-3-[(2-methylanilino)-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
CID 50750893
N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]thiophene-2-carboxamide
CID 92501196
N-[3-[(S)-(2-methoxyanilino)-pyridin-2-ylmethyl]-2-methyl-1H-indol-5-yl]furan-2-carboxamide
CID 92501188
4-fluoro-N-[2-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736686
4-methyl-N-[2-methyl-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 50750851
4-fluoro-N-[2-methyl-3-[(R)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736687
4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
CID 4124907
N-(2,3-dimethyl-1H-indol-5-yl)pyridine-2-carboxamide
CID 140508282
2-fluoro-N-[2-methyl-3-[piperidin-1-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 46270110
2-chloro-N-[2-methyl-3-[(S)-morpholin-4-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide
CID 92736744
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-4-nitroaniline
CID 7106162
N-[3-[(R)-[(4,6-dimethylpyrimidin-2-yl)amino]-pyridin-2-ylmethyl]-5-methylthiophen-2-yl]benzamide
CID 93064821

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide?
The IUPAC name of N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide (CID 50750861) is N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide?
The canonical SMILES for N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide is Cc1cccc(NC(c2ccccn2)c2c(C)[nH]c3ccc(NC(=O)c4ccccc4)cc23)n1.
What is the InChIKey of N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide?
The InChIKey is GEHFKRATFUUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c1-18-9-8-13-25(30-18)33-27(24-12-6-7-16-29-24)26-19(2)31-23-15-14-21(17-22(23)26)32-28(34)20-10-4-3-5-11-20/h3-17,27,31H,1-2H3,(H,30,33)(H,32,34).
What are the key properties of N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide?
N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 6.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 50750861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).