N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C20H21N3O2 — CID 72792838

IUPACN-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-25-16-8-6-15(7-9-16)12-23-13-17(19-18(23)3-2-10-21-19)20(24)22-11-14-4-5-14/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,22,24)
InChIKeyNULNZMNZYRYFNS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.23
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 72792838) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID72792838
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-25-16-8-6-15(7-9-16)12-23-13-17(19-18(23)3-2-10-21-19)20(24)22-11-14-4-5-14/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,22,24)
InChIKeyNULNZMNZYRYFNS-UHFFFAOYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 72792838) is N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is COc1ccc(Cn2cc(C(=O)NCC3CC3)c3ncccc32)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is NULNZMNZYRYFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-16-8-6-15(7-9-16)12-23-13-17(19-18(23)3-2-10-21-19)20(24)22-11-14-4-5-14/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,22,24).
What are the key properties of N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 72792838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).