(4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid

C12H13N5O2 — CID 67240691

IUPAC(4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc2c([nH]1)CCNC2c1cccnc1
InChIInChI=1S/C12H13N5O2/c18-12(19)17-11-15-8-3-5-14-9(10(8)16-11)7-2-1-4-13-6-7/h1-2,4,6,9,14H,3,5H2,(H,18,19)(H2,15,16,17)
InChIKeyGXGHAJBCVILBCS-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.13
Rot. Bonds2

About (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid

(4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid (PubChem CID 67240691) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid
PubChem CID67240691
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name(4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc2c([nH]1)CCNC2c1cccnc1
InChIInChI=1S/C12H13N5O2/c18-12(19)17-11-15-8-3-5-14-9(10(8)16-11)7-2-1-4-13-6-7/h1-2,4,6,9,14H,3,5H2,(H,18,19)(H2,15,16,17)
InChIKeyGXGHAJBCVILBCS-UHFFFAOYSA-N
XLogP1.13
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid?
The IUPAC name of (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid (CID 67240691) is (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid.
What is the SMILES notation for (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid?
The canonical SMILES for (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid is O=C(O)Nc1nc2c([nH]1)CCNC2c1cccnc1.
What is the InChIKey of (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid?
The InChIKey is GXGHAJBCVILBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-12(19)17-11-15-8-3-5-14-9(10(8)16-11)7-2-1-4-13-6-7/h1-2,4,6,9,14H,3,5H2,(H,18,19)(H2,15,16,17).
What are the key properties of (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid?
(4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid has a molecular weight of 259.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)carbamic acid is sourced from PubChem (CID 67240691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).