4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide

C15H24N4O — CID 18998639

IUPAC4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCC(C)(N)C1CCC(C(=O)Nc2ccnc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,17)11-5-3-10(4-6-11)14(20)19-12-7-8-18-13(16)9-12/h7-11H,3-6,17H2,1-2H3,(H3,16,18,19,20)
InChIKeyKITXATGAFSARNF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds3

About 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide

4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 18998639) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide
PubChem CID18998639
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCC(C)(N)C1CCC(C(=O)Nc2ccnc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,17)11-5-3-10(4-6-11)14(20)19-12-7-8-18-13(16)9-12/h7-11H,3-6,17H2,1-2H3,(H3,16,18,19,20)
InChIKeyKITXATGAFSARNF-UHFFFAOYSA-N
XLogP2.15
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide (CID 18998639) is 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide is CC(C)(N)C1CCC(C(=O)Nc2ccnc(N)c2)CC1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is KITXATGAFSARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,17)11-5-3-10(4-6-11)14(20)19-12-7-8-18-13(16)9-12/h7-11H,3-6,17H2,1-2H3,(H3,16,18,19,20).
What are the key properties of 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide?
4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 18998639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).