1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea

C15H17BrN4O — CID 113035995

IUPAC1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C15H17BrN4O/c1-10(2)18-15(21)20-14-8-7-11(9-17-14)19-13-6-4-3-5-12(13)16/h3-10,19H,1-2H3,(H2,17,18,20,21)
InChIKeyJGFOPRQGQVVHSL-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.12
Rot. Bonds4

About 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea

1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113035995) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113035995
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C15H17BrN4O/c1-10(2)18-15(21)20-14-8-7-11(9-17-14)19-13-6-4-3-5-12(13)16/h3-10,19H,1-2H3,(H2,17,18,20,21)
InChIKeyJGFOPRQGQVVHSL-UHFFFAOYSA-N
XLogP4.12
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
CID 113035990
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
N-[5-(2-bromoanilino)-2-pyridinyl]methanesulfonamide
CID 113035997
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea (CID 113035995) is 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Nc2ccccc2Br)cn1.
What is the InChIKey of 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is JGFOPRQGQVVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10(2)18-15(21)20-14-8-7-11(9-17-14)19-13-6-4-3-5-12(13)16/h3-10,19H,1-2H3,(H2,17,18,20,21).
What are the key properties of 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 349.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113035995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).