N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide

C21H23N3O2 — CID 53354588

IUPACN-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CC3CC3)cn2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,26)17-7-5-15(6-8-17)20(25)23-19-11-18-16(12-22-19)9-10-24(18)13-14-3-4-14/h5-12,14,26H,3-4,13H2,1-2H3,(H,22,23,25)
InChIKeyOFLQFDPYHCROCP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.93
Rot. Bonds5

About N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide

N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 53354588) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID53354588
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CC3CC3)cn2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,26)17-7-5-15(6-8-17)20(25)23-19-11-18-16(12-22-19)9-10-24(18)13-14-3-4-14/h5-12,14,26H,3-4,13H2,1-2H3,(H,22,23,25)
InChIKeyOFLQFDPYHCROCP-UHFFFAOYSA-N
XLogP3.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide (CID 53354588) is N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide is CC(C)(O)c1ccc(C(=O)Nc2cc3c(ccn3CC3CC3)cn2)cc1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is OFLQFDPYHCROCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,26)17-7-5-15(6-8-17)20(25)23-19-11-18-16(12-22-19)9-10-24(18)13-14-3-4-14/h5-12,14,26H,3-4,13H2,1-2H3,(H,22,23,25).
What are the key properties of N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide?
N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 53354588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).