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

C26H34N6O2 — CID 122181557

IUPAC5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cncc(N)c3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1
InChIKeySNHDOVDTEMKAHA-DHIUTWEWSA-N
MW462.60 g/mol
LogP3.62
Rot. Bonds6

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

5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 122181557) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID122181557
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cncc(N)c3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
InChIInChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1
InChIKeySNHDOVDTEMKAHA-DHIUTWEWSA-N
XLogP3.62
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (CID 122181557) is 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is Cc1cc2c(-c3cncc(N)c3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is SNHDOVDTEMKAHA-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1.
What are the key properties of 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 462.60 g/mol, XLogP of 3.62, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122181557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).