N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide

C13H15N5O — CID 81234363

IUPACN,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)N(CC#N)CC#N
InChIInChI=1S/C13H15N5O/c1-3-16-12-8-10(2)17-9-11(12)13(19)18(6-4-14)7-5-15/h8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyOAXWDIJDUOYOEC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.31
Rot. Bonds5

About N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide

N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide (PubChem CID 81234363) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
PubChem CID81234363
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
SMILESCCNc1cc(C)ncc1C(=O)N(CC#N)CC#N
InChIInChI=1S/C13H15N5O/c1-3-16-12-8-10(2)17-9-11(12)13(19)18(6-4-14)7-5-15/h8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyOAXWDIJDUOYOEC-UHFFFAOYSA-N
XLogP1.31
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.31
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)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81234794
4-(ethylamino)-6-methyl-N,N-dipropylpyridine-3-carboxamide
CID 81235841
4-(ethylamino)-N,N-bis(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81237785
4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N,N-diethyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236532
N-ethyl-4-(ethylamino)-6-methyl-N-phenylpyridine-3-carboxamide
CID 81238221
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide
CID 81243343
N-[2-(carbamoylamino)ethyl]-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 83114995
4-(ethylamino)-N,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 112664208
4-(ethylamino)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81235486
4-(ethylamino)-6-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 81240303

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide (CID 81234363) is N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide is CCNc1cc(C)ncc1C(=O)N(CC#N)CC#N.
What is the InChIKey of N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
The InChIKey is OAXWDIJDUOYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-16-12-8-10(2)17-9-11(12)13(19)18(6-4-14)7-5-15/h8-9H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide?
N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81234363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).