1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea

C19H22N4O3 — CID 87009815

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C19H22N4O3/c1-14-3-2-4-17(21-14)13-20-19(25)22-16-7-5-15(6-8-16)18(24)23-9-11-26-12-10-23/h2-8H,9-13H2,1H3,(H2,20,22,25)
InChIKeyWZBHSVNFDRWYER-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.18
Rot. Bonds4

About 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea

1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 87009815) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
PubChem CID87009815
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C19H22N4O3/c1-14-3-2-4-17(21-14)13-20-19(25)22-16-7-5-15(6-8-16)18(24)23-9-11-26-12-10-23/h2-8H,9-13H2,1H3,(H2,20,22,25)
InChIKeyWZBHSVNFDRWYER-UHFFFAOYSA-N
XLogP2.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
CID 58585961
2-(2,6-dimethylanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54818171
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186
N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87044150
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42438455
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea (CID 87009815) is 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea is Cc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is WZBHSVNFDRWYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14-3-2-4-17(21-14)13-20-19(25)22-16-7-5-15(6-8-16)18(24)23-9-11-26-12-10-23/h2-8H,9-13H2,1H3,(H2,20,22,25).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 354.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 87009815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).