N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide

C23H27N3O2 — CID 69443877

IUPACN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H27N3O2/c1-14(2)12-19-18(13-24)21(17-9-7-15(3)8-10-17)22(16(4)25-19)26-23(27)20-6-5-11-28-20/h5-11,14H,12-13,24H2,1-4H3,(H,26,27)
InChIKeyHNNOQEAOTNKHDT-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.87
Rot. Bonds6

About N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide

N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide (PubChem CID 69443877) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
PubChem CID69443877
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H27N3O2/c1-14(2)12-19-18(13-24)21(17-9-7-15(3)8-10-17)22(16(4)25-19)26-23(27)20-6-5-11-28-20/h5-11,14H,12-13,24H2,1-4H3,(H,26,27)
InChIKeyHNNOQEAOTNKHDT-UHFFFAOYSA-N
XLogP4.87
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
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
2-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid;dihydrochloride
CID 174497476
4-N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 174512400
methyl 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,3-oxazole-4-carboxylate;dihydrochloride
CID 69445298
4-[[2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]benzoic acid;dihydrochloride
CID 69446088
N-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methyl]methanesulfonamide
CID 69444901
2-[4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]-2-oxopiperazin-1-yl]acetic acid;dihydrochloride
CID 69445192
[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methylsulfonyl acetate
CID 91328858
1-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 174512376
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
CID 20932940
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 N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide (CID 69443877) is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide is Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is HNNOQEAOTNKHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-14(2)12-19-18(13-24)21(17-9-7-15(3)8-10-17)22(16(4)25-19)26-23(27)20-6-5-11-28-20/h5-11,14H,12-13,24H2,1-4H3,(H,26,27).
What are the key properties of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide?
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 69443877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).