2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide

C27H32N4O2 — CID 166560947

IUPAC2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccc(OC[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3cccc(CN)c3)cnc2N)cc1C
InChIInChI=1S/C27H32N4O2/c1-17-9-10-23(11-18(17)2)33-16-21-7-4-8-25(21)31-27(32)24-13-22(15-30-26(24)29)20-6-3-5-19(12-20)14-28/h3,5-6,9-13,15,21,25H,4,7-8,14,16,28H2,1-2H3,(H2,29,30)(H,31,32)/t21-,25+/m1/s1
InChIKeyLASXKGMKKKBJLP-BWKNWUBXSA-N
MW444.58 g/mol
LogP4.38
Rot. Bonds7

About 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide

2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide (PubChem CID 166560947) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide
PubChem CID166560947
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide
SMILESCc1ccc(OC[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3cccc(CN)c3)cnc2N)cc1C
InChIInChI=1S/C27H32N4O2/c1-17-9-10-23(11-18(17)2)33-16-21-7-4-8-25(21)31-27(32)24-13-22(15-30-26(24)29)20-6-3-5-19(12-20)14-28/h3,5-6,9-13,15,21,25H,4,7-8,14,16,28H2,1-2H3,(H2,29,30)(H,31,32)/t21-,25+/m1/s1
InChIKeyLASXKGMKKKBJLP-BWKNWUBXSA-N
XLogP4.38
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-5-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]carbamoyl]-3-pyridinyl]benzoic acid
CID 166560925
3-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]carbamoyl]-3-pyridinyl]-5-hydroxybenzoic acid
CID 166560949
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[3-[[[(3S)-piperidin-3-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 126644492
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-(hydroxymethyl)-3-methylphenyl]pyridine-3-carboxamide
CID 126644947
2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
CID 82556129
3-amino-5-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]carbamoyl]-3-pyridinyl]benzoic acid
CID 126644195
2-amino-N-[(3R)-1-[[4-[3-(aminomethyl)phenyl]phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326117
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644185
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644660
2-amino-N-[(2S)-2-[benzyl(methyl)amino]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654155
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide (CID 166560947) is 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide is Cc1ccc(OC[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3cccc(CN)c3)cnc2N)cc1C.
What is the InChIKey of 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is LASXKGMKKKBJLP-BWKNWUBXSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-17-9-10-23(11-18(17)2)33-16-21-7-4-8-25(21)31-27(32)24-13-22(15-30-26(24)29)20-6-3-5-19(12-20)14-28/h3,5-6,9-13,15,21,25H,4,7-8,14,16,28H2,1-2H3,(H2,29,30)(H,31,32)/t21-,25+/m1/s1.
What are the key properties of 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide?
2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 166560947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).