[5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid

C13H15N3O3 — CID 174225915

IUPAC[5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid
SMILESCn1cc(NC(=O)O)c2c(=O)n(CC3CC3)ccc21
InChIInChI=1S/C13H15N3O3/c1-15-7-9(14-13(18)19)11-10(15)4-5-16(12(11)17)6-8-2-3-8/h4-5,7-8,14H,2-3,6H2,1H3,(H,18,19)
InChIKeyQQZIIXQHLWZSBC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.84
Rot. Bonds3

About [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid

[5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid (PubChem CID 174225915) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid
PubChem CID174225915
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid
SMILESCn1cc(NC(=O)O)c2c(=O)n(CC3CC3)ccc21
InChIInChI=1S/C13H15N3O3/c1-15-7-9(14-13(18)19)11-10(15)4-5-16(12(11)17)6-8-2-3-8/h4-5,7-8,14H,2-3,6H2,1H3,(H,18,19)
InChIKeyQQZIIXQHLWZSBC-UHFFFAOYSA-N
XLogP1.84
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid?
The IUPAC name of [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid (CID 174225915) is [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid.
What is the SMILES notation for [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid?
The canonical SMILES for [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid is Cn1cc(NC(=O)O)c2c(=O)n(CC3CC3)ccc21.
What is the InChIKey of [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid?
The InChIKey is QQZIIXQHLWZSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15-7-9(14-13(18)19)11-10(15)4-5-16(12(11)17)6-8-2-3-8/h4-5,7-8,14H,2-3,6H2,1H3,(H,18,19).
What are the key properties of [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid?
[5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid has a molecular weight of 261.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]carbamic acid is sourced from PubChem (CID 174225915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).