N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide

C23H20N8O2 — CID 158833367

IUPACN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NC(=O)c3ccnc(-n4cnnn4)c3)c1)=NC2
InChIInChI=1S/C23H20N8O2/c1-14(2)33-18-4-3-17-12-26-22(19(17)11-18)15-5-7-24-20(9-15)28-23(32)16-6-8-25-21(10-16)31-13-27-29-30-31/h3-11,13-14H,12H2,1-2H3,(H,24,28,32)
InChIKeyQCMSXVKLVHWLHZ-UHFFFAOYSA-N
MW440.47 g/mol
LogP2.84
Rot. Bonds6

About N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide

N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide (PubChem CID 158833367) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
PubChem CID158833367
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC NameN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NC(=O)c3ccnc(-n4cnnn4)c3)c1)=NC2
InChIInChI=1S/C23H20N8O2/c1-14(2)33-18-4-3-17-12-26-22(19(17)11-18)15-5-7-24-20(9-15)28-23(32)16-6-8-25-21(10-16)31-13-27-29-30-31/h3-11,13-14H,12H2,1-2H3,(H,24,28,32)
InChIKeyQCMSXVKLVHWLHZ-UHFFFAOYSA-N
XLogP2.84
TPSA120.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 157372779
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
CID 158939204
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157482112
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
2-(2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176475
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938
N-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 154635330
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide (CID 158833367) is N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide is CC(C)Oc1ccc2c(c1)C(c1ccnc(NC(=O)c3ccnc(-n4cnnn4)c3)c1)=NC2.
What is the InChIKey of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide?
The InChIKey is QCMSXVKLVHWLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-14(2)33-18-4-3-17-12-26-22(19(17)11-18)15-5-7-24-20(9-15)28-23(32)16-6-8-25-21(10-16)31-13-27-29-30-31/h3-11,13-14H,12H2,1-2H3,(H,24,28,32).
What are the key properties of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide?
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 158833367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).