N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide

C16H18N4O2 — CID 154230606

IUPACN-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide
SMILESCC(CNC(=O)C1=C2C=C3CC3C2NN1)Oc1cccnc1
InChIInChI=1S/C16H18N4O2/c1-9(22-11-3-2-4-17-8-11)7-18-16(21)15-13-6-10-5-12(10)14(13)19-20-15/h2-4,6,8-9,12,14,19-20H,5,7H2,1H3,(H,18,21)
InChIKeyKELQYYXPNATHGD-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.66
Rot. Bonds5

About N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide

N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide (PubChem CID 154230606) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide
PubChem CID154230606
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide
SMILESCC(CNC(=O)C1=C2C=C3CC3C2NN1)Oc1cccnc1
InChIInChI=1S/C16H18N4O2/c1-9(22-11-3-2-4-17-8-11)7-18-16(21)15-13-6-10-5-12(10)14(13)19-20-15/h2-4,6,8-9,12,14,19-20H,5,7H2,1H3,(H,18,21)
InChIKeyKELQYYXPNATHGD-UHFFFAOYSA-N
XLogP0.66
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
1-(4-methoxyphenyl)-N-(2-pyridin-3-yloxypropyl)cyclopentane-1-carboxamide
CID 90649820
1-(4-chlorophenyl)-N-(2-pyridin-3-yloxypropyl)cyclobutane-1-carboxamide
CID 90649368
N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
CID 135114402
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide?
The IUPAC name of N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide (CID 154230606) is N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide is CC(CNC(=O)C1=C2C=C3CC3C2NN1)Oc1cccnc1.
What is the InChIKey of N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide?
The InChIKey is KELQYYXPNATHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9(22-11-3-2-4-17-8-11)7-18-16(21)15-13-6-10-5-12(10)14(13)19-20-15/h2-4,6,8-9,12,14,19-20H,5,7H2,1H3,(H,18,21).
What are the key properties of N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide?
N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yloxypropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-4,6-diene-7-carboxamide is sourced from PubChem (CID 154230606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).