2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide

C16H16N4O — CID 66416408

IUPAC2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide
SMILESCc1c(NCc2c[nH]c3ncccc23)cccc1C(N)=O
InChIInChI=1S/C16H16N4O/c1-10-12(15(17)21)4-2-6-14(10)19-8-11-9-20-16-13(11)5-3-7-18-16/h2-7,9,19H,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyPLYGMQJHFSZXMH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide

2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide (PubChem CID 66416408) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide
PubChem CID66416408
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide
SMILESCc1c(NCc2c[nH]c3ncccc23)cccc1C(N)=O
InChIInChI=1S/C16H16N4O/c1-10-12(15(17)21)4-2-6-14(10)19-8-11-9-20-16-13(11)5-3-7-18-16/h2-7,9,19H,8H2,1H3,(H2,17,21)(H,18,20)
InChIKeyPLYGMQJHFSZXMH-UHFFFAOYSA-N
XLogP2.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780
2,5-difluoro-4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 103584688
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 115904226
4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415463
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214
4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzonitrile
CID 66415469
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide?
The IUPAC name of 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide (CID 66416408) is 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide.
What is the SMILES notation for 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide?
The canonical SMILES for 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide is Cc1c(NCc2c[nH]c3ncccc23)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide?
The InChIKey is PLYGMQJHFSZXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-12(15(17)21)4-2-6-14(10)19-8-11-9-20-16-13(11)5-3-7-18-16/h2-7,9,19H,8H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide?
2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide is sourced from PubChem (CID 66416408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).