6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide

C11H14N4O — CID 62238981

IUPAC6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cccc(N)n1
InChIInChI=1S/C11H14N4O/c1-8(6-12)7-15(2)11(16)9-4-3-5-10(13)14-9/h3-5,8H,7H2,1-2H3,(H2,13,14)
InChIKeyYQRZBDRNFWOCIV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds3

About 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide

6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide (PubChem CID 62238981) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
PubChem CID62238981
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cccc(N)n1
InChIInChI=1S/C11H14N4O/c1-8(6-12)7-15(2)11(16)9-4-3-5-10(13)14-9/h3-5,8H,7H2,1-2H3,(H2,13,14)
InChIKeyYQRZBDRNFWOCIV-UHFFFAOYSA-N
XLogP0.90
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62235917
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide
CID 61051001
6-amino-N,N-bis(2-methylpropyl)pyridine-2-carboxamide;hydrochloride
CID 119998863
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
CID 61114368
4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 61053221
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide (CID 62238981) is 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide is CC(C#N)CN(C)C(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
The InChIKey is YQRZBDRNFWOCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(6-12)7-15(2)11(16)9-4-3-5-10(13)14-9/h3-5,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).