N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine

C25H32N6 — CID 46899903

IUPACN-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESC[C@@H]1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)C[C@H](C)N1
InChIInChI=1S/C25H32N6/c1-17-15-31(16-18(2)28-17)25-22-9-10-26-14-20(22)12-23(30-25)19-8-11-27-24(13-19)29-21-6-4-3-5-7-21/h8-14,17-18,21,28H,3-7,15-16H2,1-2H3,(H,27,29)/t17-,18+
InChIKeySEBBJZUTFAVAIT-HDICACEKSA-N
MW416.57 g/mol
LogP4.62
Rot. Bonds4

About N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine

N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine (PubChem CID 46899903) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine
PubChem CID46899903
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC NameN-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine
SMILESC[C@@H]1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)C[C@H](C)N1
InChIInChI=1S/C25H32N6/c1-17-15-31(16-18(2)28-17)25-22-9-10-26-14-20(22)12-23(30-25)19-8-11-27-24(13-19)29-21-6-4-3-5-7-21/h8-14,17-18,21,28H,3-7,15-16H2,1-2H3,(H,27,29)/t17-,18+
InChIKeySEBBJZUTFAVAIT-HDICACEKSA-N
XLogP4.62
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine (CID 46899903) is N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine is C[C@@H]1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)C[C@H](C)N1.
What is the InChIKey of N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
The InChIKey is SEBBJZUTFAVAIT-HDICACEKSA-N. The full InChI is InChI=1S/C25H32N6/c1-17-15-31(16-18(2)28-17)25-22-9-10-26-14-20(22)12-23(30-25)19-8-11-27-24(13-19)29-21-6-4-3-5-7-21/h8-14,17-18,21,28H,3-7,15-16H2,1-2H3,(H,27,29)/t17-,18+.
What are the key properties of N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine?
N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine has a molecular weight of 416.57 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 46899903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).