N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide

C20H22N4O — CID 166231513

IUPACN-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESCc1ccc(C(=O)NCC2CC2)cc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C20H22N4O/c1-13-2-5-15(20(25)24-11-14-3-4-14)10-18(13)23-12-16-6-8-21-19-17(16)7-9-22-19/h2,5-10,14,23H,3-4,11-12H2,1H3,(H,21,22)(H,24,25)
InChIKeyDJNZYRKIVCXDNB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.62
Rot. Bonds6

About N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide

N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (PubChem CID 166231513) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
PubChem CID166231513
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESCc1ccc(C(=O)NCC2CC2)cc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C20H22N4O/c1-13-2-5-15(20(25)24-11-14-3-4-14)10-18(13)23-12-16-6-8-21-19-17(16)7-9-22-19/h2,5-10,14,23H,3-4,11-12H2,1H3,(H,21,22)(H,24,25)
InChIKeyDJNZYRKIVCXDNB-UHFFFAOYSA-N
XLogP3.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (CID 166231513) is N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is Cc1ccc(C(=O)NCC2CC2)cc1NCc1ccnc2[nH]ccc12.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The InChIKey is DJNZYRKIVCXDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-2-5-15(20(25)24-11-14-3-4-14)10-18(13)23-12-16-6-8-21-19-17(16)7-9-22-19/h2,5-10,14,23H,3-4,11-12H2,1H3,(H,21,22)(H,24,25).
What are the key properties of N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 166231513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).