2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide

C11H16N4O — CID 43598857

IUPAC2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC2CC2N)n1
InChIInChI=1S/C11H16N4O/c1-5-3-6(2)14-11(9(5)10(13)16)15-8-4-7(8)12/h3,7-8H,4,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyKBGXVCOPINLZCR-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.31
Rot. Bonds3

About 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide

2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 43598857) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide
PubChem CID43598857
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(NC2CC2N)n1
InChIInChI=1S/C11H16N4O/c1-5-3-6(2)14-11(9(5)10(13)16)15-8-4-7(8)12/h3,7-8H,4,12H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyKBGXVCOPINLZCR-UHFFFAOYSA-N
XLogP0.31
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide (CID 43598857) is 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(NC2CC2N)n1.
What is the InChIKey of 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is KBGXVCOPINLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-3-6(2)14-11(9(5)10(13)16)15-8-4-7(8)12/h3,7-8H,4,12H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide?
2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopropyl)amino]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 43598857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).