(2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid

C14H12N4O2 — CID 175479534

IUPAC(2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid
SMILESCc1cc(N(C(=O)O)c2cc3[nH]ccc3cn2)ccn1
InChIInChI=1S/C14H12N4O2/c1-9-6-11(3-5-15-9)18(14(19)20)13-7-12-10(8-17-13)2-4-16-12/h2-8,16H,1H3,(H,19,20)
InChIKeyHHKCGXWYADLQKR-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.08
Rot. Bonds2

About (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid

(2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid (PubChem CID 175479534) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid
PubChem CID175479534
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name(2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid
SMILESCc1cc(N(C(=O)O)c2cc3[nH]ccc3cn2)ccn1
InChIInChI=1S/C14H12N4O2/c1-9-6-11(3-5-15-9)18(14(19)20)13-7-12-10(8-17-13)2-4-16-12/h2-8,16H,1H3,(H,19,20)
InChIKeyHHKCGXWYADLQKR-UHFFFAOYSA-N
XLogP3.08
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid?
The IUPAC name of (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid (CID 175479534) is (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid.
What is the SMILES notation for (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid?
The canonical SMILES for (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid is Cc1cc(N(C(=O)O)c2cc3[nH]ccc3cn2)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid?
The InChIKey is HHKCGXWYADLQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-6-11(3-5-15-9)18(14(19)20)13-7-12-10(8-17-13)2-4-16-12/h2-8,16H,1H3,(H,19,20).
What are the key properties of (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid?
(2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid has a molecular weight of 268.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-pyridinyl)-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid is sourced from PubChem (CID 175479534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).