1-indol-1-yl-1-pyridin-4-ylurea

C14H12N4O — CID 174592326

IUPAC1-indol-1-yl-1-pyridin-4-ylurea
SMILESNC(=O)N(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C14H12N4O/c15-14(19)18(12-5-8-16-9-6-12)17-10-7-11-3-1-2-4-13(11)17/h1-10H,(H2,15,19)
InChIKeyPONSUNRWFBCQCI-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.38
Rot. Bonds2

About 1-indol-1-yl-1-pyridin-4-ylurea

1-indol-1-yl-1-pyridin-4-ylurea (PubChem CID 174592326) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-indol-1-yl-1-pyridin-4-ylurea.

Molecular Properties

Compound Name1-indol-1-yl-1-pyridin-4-ylurea
PubChem CID174592326
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-indol-1-yl-1-pyridin-4-ylurea
SMILESNC(=O)N(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C14H12N4O/c15-14(19)18(12-5-8-16-9-6-12)17-10-7-11-3-1-2-4-13(11)17/h1-10H,(H2,15,19)
InChIKeyPONSUNRWFBCQCI-UHFFFAOYSA-N
XLogP2.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-1-pyridin-4-ylurea?
The IUPAC name of 1-indol-1-yl-1-pyridin-4-ylurea (CID 174592326) is 1-indol-1-yl-1-pyridin-4-ylurea.
What is the SMILES notation for 1-indol-1-yl-1-pyridin-4-ylurea?
The canonical SMILES for 1-indol-1-yl-1-pyridin-4-ylurea is NC(=O)N(c1ccncc1)n1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-1-pyridin-4-ylurea?
The InChIKey is PONSUNRWFBCQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-14(19)18(12-5-8-16-9-6-12)17-10-7-11-3-1-2-4-13(11)17/h1-10H,(H2,15,19).
What are the key properties of 1-indol-1-yl-1-pyridin-4-ylurea?
1-indol-1-yl-1-pyridin-4-ylurea has a molecular weight of 252.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-1-pyridin-4-ylurea is sourced from PubChem (CID 174592326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).