tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C24H29N5O3 — CID 86305857

IUPACtert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1
InChIInChI=1S/C24H29N5O3/c1-24(2,3)32-23(31)28-9-6-16(7-10-28)18-12-19(14-26-13-18)20-11-17-5-4-8-29(22(25)30)21(17)27-15-20/h6,11-15H,4-5,7-10H2,1-3H3,(H2,25,30)
InChIKeyWENISSKHIHIZKS-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 86305857) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID86305857
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Nametert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1
InChIInChI=1S/C24H29N5O3/c1-24(2,3)32-23(31)28-9-6-16(7-10-28)18-12-19(14-26-13-18)20-11-17-5-4-8-29(22(25)30)21(17)27-15-20/h6,11-15H,4-5,7-10H2,1-3H3,(H2,25,30)
InChIKeyWENISSKHIHIZKS-UHFFFAOYSA-N
XLogP4.00
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 86305857) is tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)CC1.
What is the InChIKey of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WENISSKHIHIZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-24(2,3)32-23(31)28-9-6-16(7-10-28)18-12-19(14-26-13-18)20-11-17-5-4-8-29(22(25)30)21(17)27-15-20/h6,11-15H,4-5,7-10H2,1-3H3,(H2,25,30).
What are the key properties of tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 435.53 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 86305857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).