N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide

C11H15N5O — CID 11564900

IUPACN-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N)c(C#N)c(NC(C)C)n1
InChIInChI=1S/C11H15N5O/c1-6(2)14-11-8(5-12)9(13)4-10(16-11)15-7(3)17/h4,6H,1-3H3,(H4,13,14,15,16,17)
InChIKeyRDXBCBNOXIJBTO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds3

About N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide

N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide (PubChem CID 11564900) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide
PubChem CID11564900
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N)c(C#N)c(NC(C)C)n1
InChIInChI=1S/C11H15N5O/c1-6(2)14-11-8(5-12)9(13)4-10(16-11)15-7(3)17/h4,6H,1-3H3,(H4,13,14,15,16,17)
InChIKeyRDXBCBNOXIJBTO-UHFFFAOYSA-N
XLogP1.31
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
N-(4-amino-5-cyano-6-(ethylamino)pyridin-2-yl)acetamide
CID 11586583
N-(4-amino-6-butylsulfanyl-5-cyanopyridin-2-yl)acetamide
CID 11601374
N-(4-amino-5-cyano-6-propylpyridin-2-yl)acetamide
CID 11680140
4-Amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 12818626
N-(3-cyanopyridin-2-yl)acetamide
CID 10953821
1-Butyl-3-[[5-cyano-4,6-bis(dimethylamino)-2-pyridinyl]amino]urea
CID 2807736
1-[[5-Cyano-4,6-bis(dimethylamino)-2-pyridinyl]amino]-3-propan-2-ylurea
CID 2807737
2,4-Bis(dimethylamino)-6-piperazin-1-ylpyridine-3-carbonitrile
CID 2808518
N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 223262
6-Chloro-2,4-bis(propan-2-ylamino)pyridine-3-carbonitrile
CID 12296750
N-(5-Cyanopyridin-2-yl)acetamide
CID 60757991

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide (CID 11564900) is N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide is CC(=O)Nc1cc(N)c(C#N)c(NC(C)C)n1.
What is the InChIKey of N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide?
The InChIKey is RDXBCBNOXIJBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6(2)14-11-8(5-12)9(13)4-10(16-11)15-7(3)17/h4,6H,1-3H3,(H4,13,14,15,16,17).
What are the key properties of N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide?
N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-cyano-6-(propan-2-ylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 11564900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).