4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide

C11H12FN7O — CID 166386780

IUPAC4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESNc1cc(C(=O)NCC2(c3nn[nH]n3)CC2)ncc1F
InChIInChI=1S/C11H12FN7O/c12-6-4-14-8(3-7(6)13)9(20)15-5-11(1-2-11)10-16-18-19-17-10/h3-4H,1-2,5H2,(H2,13,14)(H,15,20)(H,16,17,18,19)
InChIKeyULLZKOBFTMSXCH-UHFFFAOYSA-N
MW277.26 g/mol
LogP-0.22
Rot. Bonds4

About 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide

4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide (PubChem CID 166386780) has the molecular formula C11H12FN7O and a molecular weight of 277.26 g/mol. Its IUPAC name is 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide
PubChem CID166386780
Molecular FormulaC11H12FN7O
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESNc1cc(C(=O)NCC2(c3nn[nH]n3)CC2)ncc1F
InChIInChI=1S/C11H12FN7O/c12-6-4-14-8(3-7(6)13)9(20)15-5-11(1-2-11)10-16-18-19-17-10/h3-4H,1-2,5H2,(H2,13,14)(H,15,20)(H,16,17,18,19)
InChIKeyULLZKOBFTMSXCH-UHFFFAOYSA-N
XLogP-0.22
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide (CID 166386780) is 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide is Nc1cc(C(=O)NCC2(c3nn[nH]n3)CC2)ncc1F.
What is the InChIKey of 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide?
The InChIKey is ULLZKOBFTMSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN7O/c12-6-4-14-8(3-7(6)13)9(20)15-5-11(1-2-11)10-16-18-19-17-10/h3-4H,1-2,5H2,(H2,13,14)(H,15,20)(H,16,17,18,19).
What are the key properties of 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide?
4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide has a molecular weight of 277.26 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-N-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 166386780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).