N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine

C19H22N4O — CID 52516388

IUPACN-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cn1
InChIInChI=1S/C19H22N4O/c1-13-9-17(13)18-5-4-16(24-18)12-20-10-15-3-6-19(22-11-15)23-8-7-21-14(23)2/h3-8,11,13,17,20H,9-10,12H2,1-2H3/t13-,17-/m1/s1
InChIKeyINVMOEPXSAXJCH-CXAGYDPISA-N
MW322.41 g/mol
LogP3.58
Rot. Bonds6

About N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine

N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine (PubChem CID 52516388) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
PubChem CID52516388
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cn1
InChIInChI=1S/C19H22N4O/c1-13-9-17(13)18-5-4-16(24-18)12-20-10-15-3-6-19(22-11-15)23-8-7-21-14(23)2/h3-8,11,13,17,20H,9-10,12H2,1-2H3/t13-,17-/m1/s1
InChIKeyINVMOEPXSAXJCH-CXAGYDPISA-N
XLogP3.58
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 119121927
N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086201
N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 47052690
N-[(2-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748655
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61284670
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136716924

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine (CID 52516388) is N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine is Cc1nccn1-c1ccc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cn1.
What is the InChIKey of N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
The InChIKey is INVMOEPXSAXJCH-CXAGYDPISA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-9-17(13)18-5-4-16(24-18)12-20-10-15-3-6-19(22-11-15)23-8-7-21-14(23)2/h3-8,11,13,17,20H,9-10,12H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine?
N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine has a molecular weight of 322.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 52516388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).