N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide

C14H16N6O — CID 164903013

IUPACN-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide
SMILESCc1nc2n(n1)-c1nccc(NC(=O)C3CC3)c1N(C)C2
InChIInChI=1S/C14H16N6O/c1-8-16-11-7-19(2)12-10(17-14(21)9-3-4-9)5-6-15-13(12)20(11)18-8/h5-6,9H,3-4,7H2,1-2H3,(H,15,17,21)
InChIKeyWNDTXBBRQHJAPF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.27
Rot. Bonds2

About N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide

N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide (PubChem CID 164903013) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide
PubChem CID164903013
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide
SMILESCc1nc2n(n1)-c1nccc(NC(=O)C3CC3)c1N(C)C2
InChIInChI=1S/C14H16N6O/c1-8-16-11-7-19(2)12-10(17-14(21)9-3-4-9)5-6-15-13(12)20(11)18-8/h5-6,9H,3-4,7H2,1-2H3,(H,15,17,21)
InChIKeyWNDTXBBRQHJAPF-UHFFFAOYSA-N
XLogP1.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170347942
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
CID 170348041
N-[4-[(2,6-dimethyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzodiazepin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600322
N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide
CID 172615863
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(2-methylpyrazol-3-yl)-4-oxocyclohexane-1-carboxamide
CID 112524854
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577071
N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
CID 836596

Frequently Asked Questions

What is the IUPAC name of N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide (CID 164903013) is N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide is Cc1nc2n(n1)-c1nccc(NC(=O)C3CC3)c1N(C)C2.
What is the InChIKey of N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide?
The InChIKey is WNDTXBBRQHJAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-8-16-11-7-19(2)12-10(17-14(21)9-3-4-9)5-6-15-13(12)20(11)18-8/h5-6,9H,3-4,7H2,1-2H3,(H,15,17,21).
What are the key properties of N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide?
N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide is sourced from PubChem (CID 164903013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).