1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride

C16H14ClN3O3 — CID 68811232

IUPAC1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc2ccn(Cc3ccc4c(c3)OCO4)c2cn1
InChIInChI=1S/C16H13N3O3.ClH/c17-16(20)12-6-11-3-4-19(13(11)7-18-12)8-10-1-2-14-15(5-10)22-9-21-14;/h1-7H,8-9H2,(H2,17,20);1H
InChIKeyATMOFTSJGRGCIO-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.33
Rot. Bonds3

About 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride

1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride (PubChem CID 68811232) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
PubChem CID68811232
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc2ccn(Cc3ccc4c(c3)OCO4)c2cn1
InChIInChI=1S/C16H13N3O3.ClH/c17-16(20)12-6-11-3-4-19(13(11)7-18-12)8-10-1-2-14-15(5-10)22-9-21-14;/h1-7H,8-9H2,(H2,17,20);1H
InChIKeyATMOFTSJGRGCIO-UHFFFAOYSA-N
XLogP2.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carbohydrazide
CID 24711856
1-methylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 68813268
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
[1,3]dioxolo[4,5-f]indole-5-carboxamide
CID 141014414
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 56748652
2-[1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazol-4-yl]acetic acid
CID 82306770
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050
(6-amino-3-pyridinyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone
CID 110854155
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]pyrazine-2,3-dione
CID 95917617
1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)imidazole;hydrochloride
CID 18670780
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride (CID 68811232) is 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride is Cl.NC(=O)c1cc2ccn(Cc3ccc4c(c3)OCO4)c2cn1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
The InChIKey is ATMOFTSJGRGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3.ClH/c17-16(20)12-6-11-3-4-19(13(11)7-18-12)8-10-1-2-14-15(5-10)22-9-21-14;/h1-7H,8-9H2,(H2,17,20);1H.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride has a molecular weight of 331.76 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 68811232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).