[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea

C19H27N5O — CID 174512378

IUPAC[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1NC(N)=O
InChIInChI=1S/C19H27N5O/c1-11(2)8-16-15(10-21)17(14-6-4-13(9-20)5-7-14)18(12(3)23-16)24-19(22)25/h4-7,11H,8-10,20-21H2,1-3H3,(H3,22,24,25)
InChIKeyPUAHCARTQPFHNU-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.66
Rot. Bonds6

About [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea

[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea (PubChem CID 174512378) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
PubChem CID174512378
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1NC(N)=O
InChIInChI=1S/C19H27N5O/c1-11(2)8-16-15(10-21)17(14-6-4-13(9-20)5-7-14)18(12(3)23-16)24-19(22)25/h4-7,11H,8-10,20-21H2,1-3H3,(H3,22,24,25)
InChIKeyPUAHCARTQPFHNU-UHFFFAOYSA-N
XLogP2.66
TPSA120.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 174512400
3-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid
CID 174497406
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide
CID 150292901
2-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid;dihydrochloride
CID 174497476
[5-(carbamoylamino)-6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methylcarbamic acid
CID 69446209
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 174512538
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide;dihydrochloride
CID 174512537
3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,1-dimethylurea
CID 69446296
1-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 174512376
2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide
CID 174497412
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
CID 69443877
4-[[2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]benzoic acid
CID 174497425

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea?
The IUPAC name of [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea (CID 174512378) is [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea.
What is the SMILES notation for [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea?
The canonical SMILES for [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea is Cc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1NC(N)=O.
What is the InChIKey of [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea?
The InChIKey is PUAHCARTQPFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-11(2)8-16-15(10-21)17(14-6-4-13(9-20)5-7-14)18(12(3)23-16)24-19(22)25/h4-7,11H,8-10,20-21H2,1-3H3,(H3,22,24,25).
What are the key properties of [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea?
[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea has a molecular weight of 341.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea is sourced from PubChem (CID 174512378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).