trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

About trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 139469060) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name	trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID	139469060
Molecular Formula	C20H23N5O
Molecular Weight	349.44 g/mol
Exact Mass	349.19
IUPAC Name	trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILES	C=N/C=C\C(C)=C(/C)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C)ncc2c(N)n1
InChI	InChI=1S/C20H23N5O/c1-11(5-6-22-4)13(3)17-8-14-9-18(23-10-16(14)19(21)24-17)25-20(26)15-7-12(15)2/h5-6,8-10,12,15H,4,7H2,1-3H3,(H2,21,24)(H,23,25,26)/b6-5-,13-11+/t12-,15-/m0/s1
InChIKey	PYZAIKAMSWDFCV-PPLROLISSA-N
XLogP	3.81
TPSA	93.26 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 139469060) is trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is C=N/C=C\C(C)=C(/C)c1cc2cc(NC(=O)[C@H]3C[C@@H]3C)ncc2c(N)n1.

What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

The InChIKey is PYZAIKAMSWDFCV-PPLROLISSA-N. The full InChI is InChI=1S/C20H23N5O/c1-11(5-6-22-4)13(3)17-8-14-9-18(23-10-16(14)19(21)24-17)25-20(26)15-7-12(15)2/h5-6,8-10,12,15H,4,7H2,1-3H3,(H2,21,24)(H,23,25,26)/b6-5-,13-11+/t12-,15-/m0/s1.

What are the key properties of trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?

trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 139469060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).