[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid

C13H10N4O2 — CID 135263765

IUPAC[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cncc(-c2cc3cc[nH]c3cn2)c1
InChIInChI=1S/C13H10N4O2/c18-13(19)17-10-3-9(5-14-6-10)11-4-8-1-2-15-12(8)7-16-11/h1-7,15,17H,(H,18,19)
InChIKeyVYXFVNUONGYAIG-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.71
Rot. Bonds2

About [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid

[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid (PubChem CID 135263765) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid
PubChem CID135263765
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cncc(-c2cc3cc[nH]c3cn2)c1
InChIInChI=1S/C13H10N4O2/c18-13(19)17-10-3-9(5-14-6-10)11-4-8-1-2-15-12(8)7-16-11/h1-7,15,17H,(H,18,19)
InChIKeyVYXFVNUONGYAIG-UHFFFAOYSA-N
XLogP2.71
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrrolo[2,3-c]pyridin-5-ylcarbamic acid
CID 137499260
[5-(6-amino-3-pyridinyl)-3-pyridinyl]carbamic acid
CID 118165553
2-phenyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 168875352
[3-(2H-triazol-4-yl)phenyl]carbamic acid
CID 69051190
(3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide
CID 171359597
6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
N-[(pyridin-3-ylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 91383931
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide
CID 139490788
N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 110744977
3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 46834031
5-fluoro-1H-pyrrolo[2,3-c]pyridine
CID 53399661
[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
CID 146525132

Frequently Asked Questions

What is the IUPAC name of [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid?
The IUPAC name of [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid (CID 135263765) is [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid is O=C(O)Nc1cncc(-c2cc3cc[nH]c3cn2)c1.
What is the InChIKey of [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid?
The InChIKey is VYXFVNUONGYAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-13(19)17-10-3-9(5-14-6-10)11-4-8-1-2-15-12(8)7-16-11/h1-7,15,17H,(H,18,19).
What are the key properties of [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid?
[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid has a molecular weight of 254.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 135263765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).