1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea

C24H26N4O2 — CID 118301554

IUPAC1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCCC(=O)c1cc(Cc2ccc(CNC(=O)Nc3cc(C)ccn3)cc2C)ccn1
InChIInChI=1S/C24H26N4O2/c1-4-22(29)21-14-18(8-10-25-21)13-20-6-5-19(12-17(20)3)15-27-24(30)28-23-11-16(2)7-9-26-23/h5-12,14H,4,13,15H2,1-3H3,(H2,26,27,28,30)
InChIKeyZJHKOOFSKDVSBH-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.60
Rot. Bonds7

About 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea

1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea (PubChem CID 118301554) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea
PubChem CID118301554
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea
SMILESCCC(=O)c1cc(Cc2ccc(CNC(=O)Nc3cc(C)ccn3)cc2C)ccn1
InChIInChI=1S/C24H26N4O2/c1-4-22(29)21-14-18(8-10-25-21)13-20-6-5-19(12-17(20)3)15-27-24(30)28-23-11-16(2)7-9-26-23/h5-12,14H,4,13,15H2,1-3H3,(H2,26,27,28,30)
InChIKeyZJHKOOFSKDVSBH-UHFFFAOYSA-N
XLogP4.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea with MolForge

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044521
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
2-(4-butylphenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17434255
1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 75520786
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea
CID 67062397
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999955
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
methyl 4-methyl-3-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-2-carboxylate
CID 159354705

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea (CID 118301554) is 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea is CCC(=O)c1cc(Cc2ccc(CNC(=O)Nc3cc(C)ccn3)cc2C)ccn1.
What is the InChIKey of 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is ZJHKOOFSKDVSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-4-22(29)21-14-18(8-10-25-21)13-20-6-5-19(12-17(20)3)15-27-24(30)28-23-11-16(2)7-9-26-23/h5-12,14H,4,13,15H2,1-3H3,(H2,26,27,28,30).
What are the key properties of 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea?
1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 402.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 118301554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).