1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one

C28H37N5O3 — CID 46701510

IUPAC1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one
SMILESCc1cc2cnc(Nc3ccc(CCCCN4CCOCC4)nc3)cc2n(C2CCC(O)CC2)c1=O
InChIInChI=1S/C28H37N5O3/c1-20-16-21-18-30-27(17-26(21)33(28(20)35)24-7-9-25(34)10-8-24)31-23-6-5-22(29-19-23)4-2-3-11-32-12-14-36-15-13-32/h5-6,16-19,24-25,34H,2-4,7-15H2,1H3,(H,30,31)
InChIKeyVPLVRKGNSYFJTQ-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.97
Rot. Bonds8

About 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one

1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one (PubChem CID 46701510) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one
PubChem CID46701510
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Name1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one
SMILESCc1cc2cnc(Nc3ccc(CCCCN4CCOCC4)nc3)cc2n(C2CCC(O)CC2)c1=O
InChIInChI=1S/C28H37N5O3/c1-20-16-21-18-30-27(17-26(21)33(28(20)35)24-7-9-25(34)10-8-24)31-23-6-5-22(29-19-23)4-2-3-11-32-12-14-36-15-13-32/h5-6,16-19,24-25,34H,2-4,7-15H2,1H3,(H,30,31)
InChIKeyVPLVRKGNSYFJTQ-UHFFFAOYSA-N
XLogP3.97
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Gsk8814
CID 121499171
6-acetyl-8-cyclopentyl-2-[5-(2,6-dimethyl-morpholin-4-yl)-pyridin-2-ylamino]-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330304
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 72792627
4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
trans-2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-methylpyridin-3-yl)pteridin-7(8H)-one
CID 49800133
4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267771
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901
trans-4-((2-(Butylamino)-5-(4-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
CID 72792560
4-[[2-(Butylamino)-5-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792561
N-[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 72792906
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
CID 72793397

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one (CID 46701510) is 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one is Cc1cc2cnc(Nc3ccc(CCCCN4CCOCC4)nc3)cc2n(C2CCC(O)CC2)c1=O.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one?
The InChIKey is VPLVRKGNSYFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-20-16-21-18-30-27(17-26(21)33(28(20)35)24-7-9-25(34)10-8-24)31-23-6-5-22(29-19-23)4-2-3-11-32-12-14-36-15-13-32/h5-6,16-19,24-25,34H,2-4,7-15H2,1H3,(H,30,31).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one?
1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one has a molecular weight of 491.64 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-methyl-7-[[6-(4-morpholin-4-ylbutyl)-3-pyridinyl]amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 46701510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).