N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

C12H13N5O — CID 81234794

IUPACN,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)N(CC#N)CC#N
InChIInChI=1S/C12H13N5O/c1-9-7-11(15-2)10(8-16-9)12(18)17(5-3-13)6-4-14/h7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyAHMCOHDWVFKQKH-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.92
Rot. Bonds4

About N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81234794) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81234794
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)N(CC#N)CC#N
InChIInChI=1S/C12H13N5O/c1-9-7-11(15-2)10(8-16-9)12(18)17(5-3-13)6-4-14/h7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyAHMCOHDWVFKQKH-UHFFFAOYSA-N
XLogP0.92
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81234363
N,N-diethyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236532
N,N-bis(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243339
N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81243054
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352
N-[3-(diethylamino)propyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235857
N-(2-hydroxyethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81240200
N-(3-methoxypropyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235727
N-(cyclopropylmethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81240435
4-(ethylamino)-6-methyl-N,N-dipropylpyridine-3-carboxamide
CID 81235841
N-ethyl-6-methyl-4-(methylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81237902
N-(2-cyanoethyl)-4-hydrazinyl-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 81256489

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81234794) is N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)N(CC#N)CC#N.
What is the InChIKey of N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is AHMCOHDWVFKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-9-7-11(15-2)10(8-16-9)12(18)17(5-3-13)6-4-14/h7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81234794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).