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

C16H19ClN4O2 — CID 113033853

IUPAC1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)NC(C)C)nc1
InChIInChI=1S/C16H19ClN4O2/c1-10(2)19-16(22)21-15-7-5-12(9-18-15)20-13-8-11(17)4-6-14(13)23-3/h4-10,20H,1-3H3,(H2,18,19,21,22)
InChIKeyIERBIEHGAHVWJR-UHFFFAOYSA-N
MW334.81 g/mol
LogP4.02
Rot. Bonds5

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

1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113033853) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113033853
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)NC(C)C)nc1
InChIInChI=1S/C16H19ClN4O2/c1-10(2)19-16(22)21-15-7-5-12(9-18-15)20-13-8-11(17)4-6-14(13)23-3/h4-10,20H,1-3H3,(H2,18,19,21,22)
InChIKeyIERBIEHGAHVWJR-UHFFFAOYSA-N
XLogP4.02
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113033852
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113022247
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033749
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea (CID 113033853) is 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea is COc1ccc(Cl)cc1Nc1ccc(NC(=O)NC(C)C)nc1.
What is the InChIKey of 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is IERBIEHGAHVWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10(2)19-16(22)21-15-7-5-12(9-18-15)20-13-8-11(17)4-6-14(13)23-3/h4-10,20H,1-3H3,(H2,18,19,21,22).
What are the key properties of 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 334.81 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113033853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).