6-(propan-2-ylamino)pyridine-3-carboximidamide

C9H14N4 — CID 62199546

IUPAC6-(propan-2-ylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(NC(C)C)nc1
InChIInChI=1S/C9H14N4/c1-6(2)13-8-4-3-7(5-12-8)9(10)11/h3-6H,1-2H3,(H3,10,11)(H,12,13)
InChIKeyRTJARBRAYISNSM-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.19
Rot. Bonds3

About 6-(propan-2-ylamino)pyridine-3-carboximidamide

6-(propan-2-ylamino)pyridine-3-carboximidamide (PubChem CID 62199546) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-(propan-2-ylamino)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(propan-2-ylamino)pyridine-3-carboximidamide
PubChem CID62199546
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name6-(propan-2-ylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(NC(C)C)nc1
InChIInChI=1S/C9H14N4/c1-6(2)13-8-4-3-7(5-12-8)9(10)11/h3-6H,1-2H3,(H3,10,11)(H,12,13)
InChIKeyRTJARBRAYISNSM-UHFFFAOYSA-N
XLogP1.19
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(propan-2-ylamino)pyridine-2-carboximidamide
CID 115489626
6-(methylaminomethyl)pyridine-3-carboximidamide
CID 145206932
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
2-(propan-2-ylamino)pyridine-3-carboximidamide
CID 22416553
6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
CID 71745309
6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107750112
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
N-(4-hydroxyphenyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570460
6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide
CID 171526735
2-aminopyrimidine-5-carboximidamide
CID 45080078
6-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboximidamide
CID 55166419

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)pyridine-3-carboximidamide?
The IUPAC name of 6-(propan-2-ylamino)pyridine-3-carboximidamide (CID 62199546) is 6-(propan-2-ylamino)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(propan-2-ylamino)pyridine-3-carboximidamide?
The canonical SMILES for 6-(propan-2-ylamino)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(NC(C)C)nc1.
What is the InChIKey of 6-(propan-2-ylamino)pyridine-3-carboximidamide?
The InChIKey is RTJARBRAYISNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(2)13-8-4-3-7(5-12-8)9(10)11/h3-6H,1-2H3,(H3,10,11)(H,12,13).
What are the key properties of 6-(propan-2-ylamino)pyridine-3-carboximidamide?
6-(propan-2-ylamino)pyridine-3-carboximidamide has a molecular weight of 178.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)pyridine-3-carboximidamide is sourced from PubChem (CID 62199546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).