N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide

C25H24N6O2 — CID 138696954

IUPACN-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCCOc1ccc(-c2ccc(NC(=O)C3(C)CC3c3ccccc3)cc2-c2nn[nH]n2)cn1
InChIInChI=1S/C25H24N6O2/c1-3-33-22-12-9-17(15-26-22)19-11-10-18(13-20(19)23-28-30-31-29-23)27-24(32)25(2)14-21(25)16-7-5-4-6-8-16/h4-13,15,21H,3,14H2,1-2H3,(H,27,32)(H,28,29,30,31)
InChIKeyASPZDKSVCHVPKU-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.46
Rot. Bonds7

About N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide

N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 138696954) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID138696954
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCCOc1ccc(-c2ccc(NC(=O)C3(C)CC3c3ccccc3)cc2-c2nn[nH]n2)cn1
InChIInChI=1S/C25H24N6O2/c1-3-33-22-12-9-17(15-26-22)19-11-10-18(13-20(19)23-28-30-31-29-23)27-24(32)25(2)14-21(25)16-7-5-4-6-8-16/h4-13,15,21H,3,14H2,1-2H3,(H,27,32)(H,28,29,30,31)
InChIKeyASPZDKSVCHVPKU-UHFFFAOYSA-N
XLogP4.46
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-difluorocyclohexa-1,5-dien-1-yl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 142382208
2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696673
2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide
CID 159184145
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696531
1-(3-chlorophenyl)-N-[4-(6-chloro-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178723
N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 158054063
1-(3-chlorophenyl)-N-[4-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161394976
N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 166784768
1-(4-tert-butylcyclohexyl)-3-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methylurea
CID 170434097
N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161110300
1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 159582927
4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
CID 66251010

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide (CID 138696954) is N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide is CCOc1ccc(-c2ccc(NC(=O)C3(C)CC3c3ccccc3)cc2-c2nn[nH]n2)cn1.
What is the InChIKey of N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ASPZDKSVCHVPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-3-33-22-12-9-17(15-26-22)19-11-10-18(13-20(19)23-28-30-31-29-23)27-24(32)25(2)14-21(25)16-7-5-4-6-8-16/h4-13,15,21H,3,14H2,1-2H3,(H,27,32)(H,28,29,30,31).
What are the key properties of N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide?
N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 138696954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).