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

C23H32N4O — CID 174497412

IUPAC2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1CC(=O)NC1CC1
InChIInChI=1S/C23H32N4O/c1-14(2)10-21-20(13-25)23(17-6-4-16(12-24)5-7-17)19(15(3)26-21)11-22(28)27-18-8-9-18/h4-7,14,18H,8-13,24-25H2,1-3H3,(H,27,28)
InChIKeyLJOOLUUNHHMFJE-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.99
Rot. Bonds8

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

2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide (PubChem CID 174497412) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide
PubChem CID174497412
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide
SMILESCc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1CC(=O)NC1CC1
InChIInChI=1S/C23H32N4O/c1-14(2)10-21-20(13-25)23(17-6-4-16(12-24)5-7-17)19(15(3)26-21)11-22(28)27-18-8-9-18/h4-7,14,18H,8-13,24-25H2,1-3H3,(H,27,28)
InChIKeyLJOOLUUNHHMFJE-UHFFFAOYSA-N
XLogP2.99
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
CID 174512378
4-[[2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]benzoic acid;dihydrochloride
CID 69446088
methyl 2-[4-[4-(aminomethyl)phenyl]-2-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)-3-pyridinyl]acetate
CID 174497530
2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 69445898
1-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 174512376
4-N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 174512400
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-phenylpiperidine-1-carboxamide;dihydrochloride
CID 174497947
2-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid;dihydrochloride
CID 174497476
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]pyridine-2-carboxamide
CID 150292901
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 174512538
methyl 3-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]methylsulfanyl]benzoate;dihydrochloride
CID 174497374
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide;dihydrochloride
CID 174512537

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide (CID 174497412) is 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide is Cc1nc(CC(C)C)c(CN)c(-c2ccc(CN)cc2)c1CC(=O)NC1CC1.
What is the InChIKey of 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide?
The InChIKey is LJOOLUUNHHMFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-14(2)10-21-20(13-25)23(17-6-4-16(12-24)5-7-17)19(15(3)26-21)11-22(28)27-18-8-9-18/h4-7,14,18H,8-13,24-25H2,1-3H3,(H,27,28).
What are the key properties of 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide?
2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide has a molecular weight of 380.54 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide is sourced from PubChem (CID 174497412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).