(1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide

C15H20N6O2 — CID 146146485

IUPAC(1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)Nc1ncccc1OCCCc1nn[nH]n1
InChIInChI=1S/C15H20N6O2/c1-15(2)9-10(15)14(22)17-13-11(5-3-7-16-13)23-8-4-6-12-18-20-21-19-12/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,16,17,22)(H,18,19,20,21)/t10-/m1/s1
InChIKeyQESWCJSFQBYQPS-SNVBAGLBSA-N
MW316.37 g/mol
LogP1.59
Rot. Bonds7

About (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide

(1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 146146485) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID146146485
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)Nc1ncccc1OCCCc1nn[nH]n1
InChIInChI=1S/C15H20N6O2/c1-15(2)9-10(15)14(22)17-13-11(5-3-7-16-13)23-8-4-6-12-18-20-21-19-12/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,16,17,22)(H,18,19,20,21)/t10-/m1/s1
InChIKeyQESWCJSFQBYQPS-SNVBAGLBSA-N
XLogP1.59
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide (CID 146146485) is (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(=O)Nc1ncccc1OCCCc1nn[nH]n1.
What is the InChIKey of (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is QESWCJSFQBYQPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-15(2)9-10(15)14(22)17-13-11(5-3-7-16-13)23-8-4-6-12-18-20-21-19-12/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,16,17,22)(H,18,19,20,21)/t10-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide?
(1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-[3-[3-(2H-tetrazol-5-yl)propoxy]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146146485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).