cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide

About cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide (PubChem CID 153428292) has the molecular formula C20H17BrN6O and a molecular weight of 437.30 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide
PubChem CID	153428292
Molecular Formula	C20H17BrN6O
Molecular Weight	437.30 g/mol
Exact Mass	436.06
IUPAC Name	cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide
SMILES	[C-]#[N+]C[C@@H]1C[C@H]1C(=O)Nc1cc2c(Br)c(-c3cnccc3C)nc(N)c2cn1
InChI	InChI=1S/C20H17BrN6O/c1-10-3-4-24-8-14(10)18-17(21)13-6-16(25-9-15(13)19(22)27-18)26-20(28)12-5-11(12)7-23-2/h3-4,6,8-9,11-12H,5,7H2,1H3,(H2,22,27)(H,25,26,28)/t11-,12+/m0/s1
InChIKey	JDLNMGZKJPPDJS-NWDGAFQWSA-N
XLogP	3.84
TPSA	98.15 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.30
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide (CID 153428292) is cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide is [C-]#[N+]C[C@@H]1C[C@H]1C(=O)Nc1cc2c(Br)c(-c3cnccc3C)nc(N)c2cn1.

What is the InChIKey of cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The InChIKey is JDLNMGZKJPPDJS-NWDGAFQWSA-N. The full InChI is InChI=1S/C20H17BrN6O/c1-10-3-4-24-8-14(10)18-17(21)13-6-16(25-9-15(13)19(22)27-18)26-20(28)12-5-11(12)7-23-2/h3-4,6,8-9,11-12H,5,7H2,1H3,(H2,22,27)(H,25,26,28)/t11-,12+/m0/s1.

What are the key properties of cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide has a molecular weight of 437.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[8-amino-5-bromo-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 153428292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).