4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide

C27H40N10O2 — CID 68641283

IUPAC4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide
SMILESCC(N)C1CCC(C(=O)Nc2ccnc(N)c2)CC1.NCC1CCC(C(=O)Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C14H22N4O.C13H18N6O/c1-9(15)10-2-4-11(5-3-10)14(19)18-12-6-7-17-13(16)8-12;14-5-8-1-3-9(4-2-8)13(20)18-11-10-6-17-19-12(10)16-7-15-11/h6-11H,2-5,15H2,1H3,(H3,16,17,18,19);6-9H,1-5,14H2,(H2,15,16,17,18,19,20)
InChIKeyLYOOYDBWSUQJNQ-UHFFFAOYSA-N
MW536.69 g/mol
LogP2.81
Rot. Bonds6

About 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide

4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 68641283) has the molecular formula C27H40N10O2 and a molecular weight of 536.69 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide
PubChem CID68641283
Molecular FormulaC27H40N10O2
Molecular Weight536.69 g/mol
Exact Mass536.33
IUPAC Name4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide
SMILESCC(N)C1CCC(C(=O)Nc2ccnc(N)c2)CC1.NCC1CCC(C(=O)Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C14H22N4O.C13H18N6O/c1-9(15)10-2-4-11(5-3-10)14(19)18-12-6-7-17-13(16)8-12;14-5-8-1-3-9(4-2-8)13(20)18-11-10-6-17-19-12(10)16-7-15-11/h6-11H,2-5,15H2,1H3,(H3,16,17,18,19);6-9H,1-5,14H2,(H2,15,16,17,18,19,20)
InChIKeyLYOOYDBWSUQJNQ-UHFFFAOYSA-N
XLogP2.81
TPSA203.61 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.69
LogP ≤ 52.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Gsk-2334470
CID 46215815
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 6539561
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
N-(5-Pyridin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)butyramide
CID 6539546
(3s,6r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methyl-N-Phenylpiperidine-3-Carboxamide
CID 50909915
Jqez5
CID 121322599
kinase inhibitor 2 [PMID: 30199702]
CID 134813913
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
n-[4-(3-Amino-1h-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-n'-(3-methylphenyl)urea
CID 11646161

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide (CID 68641283) is 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide is CC(N)C1CCC(C(=O)Nc2ccnc(N)c2)CC1.NCC1CCC(C(=O)Nc2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is LYOOYDBWSUQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.C13H18N6O/c1-9(15)10-2-4-11(5-3-10)14(19)18-12-6-7-17-13(16)8-12;14-5-8-1-3-9(4-2-8)13(20)18-11-10-6-17-19-12(10)16-7-15-11/h6-11H,2-5,15H2,1H3,(H3,16,17,18,19);6-9H,1-5,14H2,(H2,15,16,17,18,19,20).
What are the key properties of 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide?
4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 536.69 g/mol, XLogP of 2.81, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide;4-(aminomethyl)-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 68641283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).