1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one

C28H31ClN4O2 — CID 90022727

IUPAC1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
SMILESNCC1CCN(Cc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CC1
InChIInChI=1S/C28H31ClN4O2/c29-24-4-5-25(31-17-24)19-35-27-9-12-33(28(34)15-27)26-6-3-22-13-21(1-2-23(22)14-26)18-32-10-7-20(16-30)8-11-32/h1-2,4-5,9,12-15,17,20H,3,6-8,10-11,16,18-19,30H2
InChIKeyDXLUSVKWTQPFEC-UHFFFAOYSA-N
MW491.04 g/mol
LogP4.59
Rot. Bonds7

About 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one

1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 90022727) has the molecular formula C28H31ClN4O2 and a molecular weight of 491.04 g/mol. Its IUPAC name is 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
PubChem CID90022727
Molecular FormulaC28H31ClN4O2
Molecular Weight491.04 g/mol
Exact Mass490.21
IUPAC Name1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
SMILESNCC1CCN(Cc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CC1
InChIInChI=1S/C28H31ClN4O2/c29-24-4-5-25(31-17-24)19-35-27-9-12-33(28(34)15-27)26-6-3-22-13-21(1-2-23(22)14-26)18-32-10-7-20(16-30)8-11-32/h1-2,4-5,9,12-15,17,20H,3,6-8,10-11,16,18-19,30H2
InChIKeyDXLUSVKWTQPFEC-UHFFFAOYSA-N
XLogP4.59
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(oxan-4-ylmethylamino)methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90014022
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90023131
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[(1,1-dioxothian-4-yl)methylamino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90023174
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 90013895
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 154064888
N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide
CID 90014360
1-[6-[(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-3,4-dihydronaphthalen-2-yl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
CID 90023118
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
CID 66872771
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 42642006
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
CID 66831802
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641787

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one (CID 90022727) is 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one is NCC1CCN(Cc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CC1.
What is the InChIKey of 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
The InChIKey is DXLUSVKWTQPFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O2/c29-24-4-5-25(31-17-24)19-35-27-9-12-33(28(34)15-27)26-6-3-22-13-21(1-2-23(22)14-26)18-32-10-7-20(16-30)8-11-32/h1-2,4-5,9,12-15,17,20H,3,6-8,10-11,16,18-19,30H2.
What are the key properties of 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one?
1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 491.04 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,4-dihydronaphthalen-2-yl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 90022727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).