3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one

C26H33N5O3 — CID 122181549

IUPAC3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C26H33N5O3/c1-16-9-19(12-28-11-16)21-13-29-25(24-20(21)10-17(2)26(32)31-24)30-22-3-6-27-14-23(22)34-15-18-4-7-33-8-5-18/h9-13,18,22-23,27H,3-8,14-15H2,1-2H3,(H,29,30)(H,31,32)/t22-,23-/m1/s1
InChIKeyYGHHOOKRRDEBKR-DHIUTWEWSA-N
MW463.58 g/mol
LogP3.19
Rot. Bonds6

About 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one

3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one (PubChem CID 122181549) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one
PubChem CID122181549
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C26H33N5O3/c1-16-9-19(12-28-11-16)21-13-29-25(24-20(21)10-17(2)26(32)31-24)30-22-3-6-27-14-23(22)34-15-18-4-7-33-8-5-18/h9-13,18,22-23,27H,3-8,14-15H2,1-2H3,(H,29,30)(H,31,32)/t22-,23-/m1/s1
InChIKeyYGHHOOKRRDEBKR-DHIUTWEWSA-N
XLogP3.19
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Gsk8814
CID 121499171
3-Methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
CID 91827383
4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione
CID 122181550
8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
CID 134817552
6-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719607
4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267771
N-[5-(2,6-dimorpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 117609722
(3r,4r)-3-(Cyclohexylmethoxy)piperidin-4-Yl]amino}-3-Methyl-1,2-Dihydro-1,7-Naphthyridin-2-One
CID 91826677
3-methyl-5-(6-methyl-3-pyridinyl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
CID 122179609
5-(5-amino-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
CID 122179615
N-[5-[3-methyl-2-oxo-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-5-yl]-3-pyridinyl]methanesulfonamide
CID 122179616
3-methyl-5-phenyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
CID 122180557

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one (CID 122181549) is 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one is Cc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c3[nH]c(=O)c(C)cc23)c1.
What is the InChIKey of 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
The InChIKey is YGHHOOKRRDEBKR-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-16-9-19(12-28-11-16)21-13-29-25(24-20(21)10-17(2)26(32)31-24)30-22-3-6-27-14-23(22)34-15-18-4-7-33-8-5-18/h9-13,18,22-23,27H,3-8,14-15H2,1-2H3,(H,29,30)(H,31,32)/t22-,23-/m1/s1.
What are the key properties of 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one?
3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one has a molecular weight of 463.58 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-3-pyridinyl)-8-[[(3R,4R)-3-(oxan-4-ylmethoxy)piperidin-4-yl]amino]-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122181549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).