1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea

C14H17ClN4O2 — CID 71920725

IUPAC1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cn1
InChIInChI=1S/C14H17ClN4O2/c1-18-8-10(15)6-12(18)9-19(2)14(20)17-11-4-5-13(21-3)16-7-11/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyGISYDNQRUZKVIK-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.75
Rot. Bonds4

About 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea

1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea (PubChem CID 71920725) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea
PubChem CID71920725
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cn1
InChIInChI=1S/C14H17ClN4O2/c1-18-8-10(15)6-12(18)9-19(2)14(20)17-11-4-5-13(21-3)16-7-11/h4-8H,9H2,1-3H3,(H,17,20)
InChIKeyGISYDNQRUZKVIK-UHFFFAOYSA-N
XLogP2.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
CID 61186914
1-[(3,4-dimethoxyphenyl)methyl]-1-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]urea
CID 47041277
N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
CID 55743155
N-butan-2-yl-2-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]propanamide
CID 154750190
1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47848491
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
2-(3,5-dimethylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478526
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea?
The IUPAC name of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea (CID 71920725) is 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea?
The canonical SMILES for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea is COc1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cn1.
What is the InChIKey of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea?
The InChIKey is GISYDNQRUZKVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-18-8-10(15)6-12(18)9-19(2)14(20)17-11-4-5-13(21-3)16-7-11/h4-8H,9H2,1-3H3,(H,17,20).
What are the key properties of 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea?
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea has a molecular weight of 308.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea is sourced from PubChem (CID 71920725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).