[3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride

C19H25ClN4O2 — CID 158316408

IUPAC[3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1cc(CN)cc(NCc2cccc(C(=O)N3CC[C@H](O)C3)c2)n1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13-7-15(10-20)9-18(22-13)21-11-14-3-2-4-16(8-14)19(25)23-6-5-17(24)12-23;/h2-4,7-9,17,24H,5-6,10-12,20H2,1H3,(H,21,22);1H/t17-;/m0./s1
InChIKeyLDFSMSJRXSQODK-LMOVPXPDSA-N
MW376.89 g/mol
LogP2.09
Rot. Bonds5

About [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride

[3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 158316408) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
PubChem CID158316408
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name[3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1cc(CN)cc(NCc2cccc(C(=O)N3CC[C@H](O)C3)c2)n1.Cl
InChIInChI=1S/C19H24N4O2.ClH/c1-13-7-15(10-20)9-18(22-13)21-11-14-3-2-4-16(8-14)19(25)23-6-5-17(24)12-23;/h2-4,7-9,17,24H,5-6,10-12,20H2,1H3,(H,21,22);1H/t17-;/m0./s1
InChIKeyLDFSMSJRXSQODK-LMOVPXPDSA-N
XLogP2.09
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
CID 122565117
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
[(3R)-3-aminopyrrolidin-1-yl]-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone;hydrochloride
CID 119410638
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
CID 71968026
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058

Frequently Asked Questions

What is the IUPAC name of [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride (CID 158316408) is [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride is Cc1cc(CN)cc(NCc2cccc(C(=O)N3CC[C@H](O)C3)c2)n1.Cl.
What is the InChIKey of [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is LDFSMSJRXSQODK-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-13-7-15(10-20)9-18(22-13)21-11-14-3-2-4-16(8-14)19(25)23-6-5-17(24)12-23;/h2-4,7-9,17,24H,5-6,10-12,20H2,1H3,(H,21,22);1H/t17-;/m0./s1.
What are the key properties of [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride?
[3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[4-(aminomethyl)-6-methyl-2-pyridinyl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 158316408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).