(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

C28H32N6O4 — CID 90871316

IUPAC(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CC1
InChIInChI=1S/C28H32N6O4/c29-27(36)28(7-8-28)38-26(35)18-3-11-34(12-4-18)25-22-2-9-30-17-20(22)15-23(33-25)19-1-10-31-24(16-19)32-21-5-13-37-14-6-21/h1-2,9-10,15-18,21H,3-8,11-14H2,(H2,29,36)(H,31,32)
InChIKeyJAHRNUWXPUICKJ-UHFFFAOYSA-N
MW516.60 g/mol
LogP3.06
Rot. Bonds7

About (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate

(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (PubChem CID 90871316) has the molecular formula C28H32N6O4 and a molecular weight of 516.60 g/mol. Its IUPAC name is (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
PubChem CID90871316
Molecular FormulaC28H32N6O4
Molecular Weight516.60 g/mol
Exact Mass516.25
IUPAC Name(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CC1
InChIInChI=1S/C28H32N6O4/c29-27(36)28(7-8-28)38-26(35)18-3-11-34(12-4-18)25-22-2-9-30-17-20(22)15-23(33-25)19-1-10-31-24(16-19)32-21-5-13-37-14-6-21/h1-2,9-10,15-18,21H,3-8,11-14H2,(H2,29,36)(H,31,32)
InChIKeyJAHRNUWXPUICKJ-UHFFFAOYSA-N
XLogP3.06
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-(1-Piperazin-1-yl[2,6]naphthyridin-3-yl)pyridin-2-yl](tetrahydropyran-4-yl)amine
CID 46899901
{4-[1-(4-Isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}(tetrahydropyran-4-yl)amine
CID 46899902
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)-amide
CID 46900891
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
2-Amino-1-(4-{3-[2-(tetrahydropyran-4-ylamino)pyridin-4-yl]-[2,6]naphthyridin-1-yl}piperazin-1-yl)ethanone
CID 46900231
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Amide
CID 46900232
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid Amide
CID 46900233
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid Methylamide
CID 46900234
{1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidin-4-yl}-(4-hydroxypiperidin-1-yl)methanone
CID 46900385
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylicAcidEthylamide
CID 46900386
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid Isopropylamide
CID 46900387
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid Isobutylamide
CID 46900388

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The IUPAC name of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate (CID 90871316) is (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate.
What is the SMILES notation for (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The canonical SMILES for (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is NC(=O)C1(OC(=O)C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)CC1.
What is the InChIKey of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
The InChIKey is JAHRNUWXPUICKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4/c29-27(36)28(7-8-28)38-26(35)18-3-11-34(12-4-18)25-22-2-9-30-17-20(22)15-23(33-25)19-1-10-31-24(16-19)32-21-5-13-37-14-6-21/h1-2,9-10,15-18,21H,3-8,11-14H2,(H2,29,36)(H,31,32).
What are the key properties of (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate?
(1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate has a molecular weight of 516.60 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclopropyl) 1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylate is sourced from PubChem (CID 90871316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).