8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C30H34FN5O2 — CID 164539554

IUPAC8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCN(c1cc(=O)n(C)c2ccc(C#N)nc12)C1CCC(N(CC2CC2)c2ccc(F)c(OC3CC3)c2)CC1
InChIInChI=1S/C30H34FN5O2/c1-34(27-16-29(37)35(2)26-14-5-20(17-32)33-30(26)27)21-6-8-22(9-7-21)36(18-19-3-4-19)23-10-13-25(31)28(15-23)38-24-11-12-24/h5,10,13-16,19,21-22,24H,3-4,6-9,11-12,18H2,1-2H3
InChIKeyHUZRPGJRYUYRNB-UHFFFAOYSA-N
MW515.63 g/mol
LogP5.15
Rot. Bonds8

About 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 164539554) has the molecular formula C30H34FN5O2 and a molecular weight of 515.63 g/mol. Its IUPAC name is 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID164539554
Molecular FormulaC30H34FN5O2
Molecular Weight515.63 g/mol
Exact Mass515.27
IUPAC Name8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCN(c1cc(=O)n(C)c2ccc(C#N)nc12)C1CCC(N(CC2CC2)c2ccc(F)c(OC3CC3)c2)CC1
InChIInChI=1S/C30H34FN5O2/c1-34(27-16-29(37)35(2)26-14-5-20(17-32)33-30(26)27)21-6-8-22(9-7-21)36(18-19-3-4-19)23-10-13-25(31)28(15-23)38-24-11-12-24/h5,10,13-16,19,21-22,24H,3-4,6-9,11-12,18H2,1-2H3
InChIKeyHUZRPGJRYUYRNB-UHFFFAOYSA-N
XLogP5.15
TPSA74.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.63
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 164539554) is 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is CN(c1cc(=O)n(C)c2ccc(C#N)nc12)C1CCC(N(CC2CC2)c2ccc(F)c(OC3CC3)c2)CC1.
What is the InChIKey of 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is HUZRPGJRYUYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O2/c1-34(27-16-29(37)35(2)26-14-5-20(17-32)33-30(26)27)21-6-8-22(9-7-21)36(18-19-3-4-19)23-10-13-25(31)28(15-23)38-24-11-12-24/h5,10,13-16,19,21-22,24H,3-4,6-9,11-12,18H2,1-2H3.
What are the key properties of 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 515.63 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[N-(cyclopropylmethyl)-3-cyclopropyloxy-4-fluoroanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 164539554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).