N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide

C18H17Cl2N3O3 — CID 67354385

IUPACN-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide
SMILESCn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc(C(C)(O)CO)cc3)cc21
InChIInChI=1S/C18H17Cl2N3O3/c1-18(26,9-24)11-5-3-10(4-6-11)17(25)22-14-7-13-12(8-21-14)15(19)16(20)23(13)2/h3-8,24,26H,9H2,1-2H3,(H,21,22,25)
InChIKeyMFPWXNRUMHCDCO-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.33
Rot. Bonds4

About N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide

N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide (PubChem CID 67354385) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide
PubChem CID67354385
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC NameN-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide
SMILESCn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc(C(C)(O)CO)cc3)cc21
InChIInChI=1S/C18H17Cl2N3O3/c1-18(26,9-24)11-5-3-10(4-6-11)17(25)22-14-7-13-12(8-21-14)15(19)16(20)23(13)2/h3-8,24,26H,9H2,1-2H3,(H,21,22,25)
InChIKeyMFPWXNRUMHCDCO-UHFFFAOYSA-N
XLogP3.33
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide?
The IUPAC name of N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide (CID 67354385) is N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide is Cn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc(C(C)(O)CO)cc3)cc21.
What is the InChIKey of N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide?
The InChIKey is MFPWXNRUMHCDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-18(26,9-24)11-5-3-10(4-6-11)17(25)22-14-7-13-12(8-21-14)15(19)16(20)23(13)2/h3-8,24,26H,9H2,1-2H3,(H,21,22,25).
What are the key properties of N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide?
N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide has a molecular weight of 394.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide is sourced from PubChem (CID 67354385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).