3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine

C14H13N5 — CID 144888773

IUPAC3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine
SMILES[H]/N=C/c1cc(C#Cc2ccnc(NC)c2)cnc1N
InChIInChI=1S/C14H13N5/c1-17-13-7-10(4-5-18-13)2-3-11-6-12(8-15)14(16)19-9-11/h4-9,15H,1H3,(H2,16,19)(H,17,18)/b15-8+
InChIKeyISZBOUHPMGPMBR-OVCLIPMQSA-N
MW251.29 g/mol
LogP1.50
Rot. Bonds2

About 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine

3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine (PubChem CID 144888773) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine
PubChem CID144888773
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine
SMILES[H]/N=C/c1cc(C#Cc2ccnc(NC)c2)cnc1N
InChIInChI=1S/C14H13N5/c1-17-13-7-10(4-5-18-13)2-3-11-6-12(8-15)14(16)19-9-11/h4-9,15H,1H3,(H2,16,19)(H,17,18)/b15-8+
InChIKeyISZBOUHPMGPMBR-OVCLIPMQSA-N
XLogP1.50
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(6-amino-5-methanimidoyl-3-pyridinyl)ethynyl]-2-pyridinyl]formamide;N-methyl-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 144888620
5-[2-[2,6-difluoro-3-[(2-methyl-3-pyridinyl)sulfanylamino]phenyl]ethynyl]-3-methanimidoylpyridin-2-amine
CID 134260634
N-[3-[2-(6-amino-5-methanimidoyl-3-pyridinyl)ethynyl]-2,4-difluorophenyl]-3,5-difluorobenzenesulfinamide
CID 138718290
N-[3-[2-(6-amino-5-methanimidoyl-3-pyridinyl)ethynyl]-2,4-difluorophenyl]-3-bromo-4-methoxybenzenesulfonamide
CID 138700253
N-[3-[2-(6-amino-5-methanimidoyl-3-pyridinyl)ethynyl]-2,4-difluorophenyl]-2-chloro-6-methylbenzenesulfinamide
CID 138718341
3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine
CID 137372990
N-[3-[2-(6-amino-5-methanimidoyl-3-pyridinyl)ethynyl]-2,4-difluorophenyl]-3-chlorobenzenesulfinamide
CID 134260500
4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine
CID 121326283
2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde
CID 123441309
N-[3-[2-(6-amino-5-methanimidoyl-3-pyridinyl)ethynyl]-2,4-difluorophenyl]-3-bromo-5-(trifluoromethyl)benzenesulfinamide
CID 134260439
3-methanimidoyl-5-nitropyridin-2-amine
CID 143860355
ethane;5-methanimidoyl-N-methylpyrimidin-4-amine
CID 142609465

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine?
The IUPAC name of 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine (CID 144888773) is 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine?
The canonical SMILES for 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine is [H]/N=C/c1cc(C#Cc2ccnc(NC)c2)cnc1N.
What is the InChIKey of 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine?
The InChIKey is ISZBOUHPMGPMBR-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13N5/c1-17-13-7-10(4-5-18-13)2-3-11-6-12(8-15)14(16)19-9-11/h4-9,15H,1H3,(H2,16,19)(H,17,18)/b15-8+.
What are the key properties of 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine?
3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-5-[2-[2-(methylamino)-4-pyridinyl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 144888773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).