propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate

C23H26N6O2 — CID 69398883

IUPACpropyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate
SMILESCCCOC(=O)N(C)Nc1nccc(N2CCCc3cnc(-c4ccccc4)cc32)n1
InChIInChI=1S/C23H26N6O2/c1-3-14-31-23(30)28(2)27-22-24-12-11-21(26-22)29-13-7-10-18-16-25-19(15-20(18)29)17-8-5-4-6-9-17/h4-6,8-9,11-12,15-16H,3,7,10,13-14H2,1-2H3,(H,24,26,27)
InChIKeyBKAPVXCOKNUSCP-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.43
Rot. Bonds6

About propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate

propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate (PubChem CID 69398883) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate.

Molecular Properties

Compound Namepropyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate
PubChem CID69398883
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Namepropyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate
SMILESCCCOC(=O)N(C)Nc1nccc(N2CCCc3cnc(-c4ccccc4)cc32)n1
InChIInChI=1S/C23H26N6O2/c1-3-14-31-23(30)28(2)27-22-24-12-11-21(26-22)29-13-7-10-18-16-25-19(15-20(18)29)17-8-5-4-6-9-17/h4-6,8-9,11-12,15-16H,3,7,10,13-14H2,1-2H3,(H,24,26,27)
InChIKeyBKAPVXCOKNUSCP-UHFFFAOYSA-N
XLogP4.43
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate?
The IUPAC name of propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate (CID 69398883) is propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate.
What is the SMILES notation for propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate?
The canonical SMILES for propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate is CCCOC(=O)N(C)Nc1nccc(N2CCCc3cnc(-c4ccccc4)cc32)n1.
What is the InChIKey of propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate?
The InChIKey is BKAPVXCOKNUSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-14-31-23(30)28(2)27-22-24-12-11-21(26-22)29-13-7-10-18-16-25-19(15-20(18)29)17-8-5-4-6-9-17/h4-6,8-9,11-12,15-16H,3,7,10,13-14H2,1-2H3,(H,24,26,27).
What are the key properties of propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate?
propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate has a molecular weight of 418.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-methyl-N-[[4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]carbamate is sourced from PubChem (CID 69398883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).