N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine

C11H14ClN5 — CID 170960578

IUPACN-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine
SMILES[H]/N=C1C(=N\NC)/C(C)N(C)c2c/1ccnc2Cl
InChIInChI=1S/C11H14ClN5/c1-6-9(16-14-2)8(13)7-4-5-15-11(12)10(7)17(6)3/h4-6,13-14H,1-3H3/b13-8+,16-9-
InChIKeyWIODWEMRSUPAIH-DLZYAPHWSA-N
MW251.72 g/mol
LogP1.52
Rot. Bonds1

About N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine

N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine (PubChem CID 170960578) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine
PubChem CID170960578
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine
SMILES[H]/N=C1C(=N\NC)/C(C)N(C)c2c/1ccnc2Cl
InChIInChI=1S/C11H14ClN5/c1-6-9(16-14-2)8(13)7-4-5-15-11(12)10(7)17(6)3/h4-6,13-14H,1-3H3/b13-8+,16-9-
InChIKeyWIODWEMRSUPAIH-DLZYAPHWSA-N
XLogP1.52
TPSA64.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine?
The IUPAC name of N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine (CID 170960578) is N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine.
What is the SMILES notation for N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine?
The canonical SMILES for N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine is [H]/N=C1C(=N\NC)/C(C)N(C)c2c/1ccnc2Cl.
What is the InChIKey of N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine?
The InChIKey is WIODWEMRSUPAIH-DLZYAPHWSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-6-9(16-14-2)8(13)7-4-5-15-11(12)10(7)17(6)3/h4-6,13-14H,1-3H3/b13-8+,16-9-.
What are the key properties of N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine?
N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine has a molecular weight of 251.72 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(8-chloro-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-3-ylidene)amino]methanamine is sourced from PubChem (CID 170960578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).