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

C27H35N5O2 — CID 122181555

IUPAC8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one
SMILESCc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
InChIKeyNRTOKNHDXZZHCJ-DNQXCXABSA-N
MW461.61 g/mol
LogP4.34
Rot. Bonds6

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

8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one (PubChem CID 122181555) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one
PubChem CID122181555
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one
SMILESCc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
InChIKeyNRTOKNHDXZZHCJ-DNQXCXABSA-N
XLogP4.34
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one (CID 122181555) is 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one is Cc1cncc(-c2cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c3[nH]c(=O)c(C)cc23)c1.
What is the InChIKey of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one?
The InChIKey is NRTOKNHDXZZHCJ-DNQXCXABSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1.
What are the key properties of 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one?
8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one has a molecular weight of 461.61 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122181555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).