N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide

C21H20N8O2 — CID 153183817

IUPACN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cccnc1
InChIInChI=1S/C21H20N8O2/c1-13-10-23-18(9-16(13)15-5-4-8-22-11-15)21(31)25-19-7-3-6-17(24-19)20-26-27-28-29(20)14(2)12-30/h3-11,14,30H,12H2,1-2H3,(H,24,25,31)/t14-/m1/s1
InChIKeyWGRLYRGVWLCEQD-CQSZACIVSA-N
MW416.45 g/mol
LogP2.31
Rot. Bonds6

About N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide

N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 153183817) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
PubChem CID153183817
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cccnc1
InChIInChI=1S/C21H20N8O2/c1-13-10-23-18(9-16(13)15-5-4-8-22-11-15)21(31)25-19-7-3-6-17(24-19)20-26-27-28-29(20)14(2)12-30/h3-11,14,30H,12H2,1-2H3,(H,24,25,31)/t14-/m1/s1
InChIKeyWGRLYRGVWLCEQD-CQSZACIVSA-N
XLogP2.31
TPSA131.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 146199711
ethane;6-methyl-N-(6-pyridin-3-yl-2-pyridinyl)pyridine-2-carboxamide
CID 143094222
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 146604102
6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 157296522
2-cyclopropyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 138507426
7-[[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]carbamoyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 146564836
2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
CID 159186223
2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol
CID 135376035
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(hydroxymethyl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]benzamide
CID 135376044
2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
CID 153276703
5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 148900718
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 146604709

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide (CID 153183817) is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cccnc1.
What is the InChIKey of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is WGRLYRGVWLCEQD-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-13-10-23-18(9-16(13)15-5-4-8-22-11-15)21(31)25-19-7-3-6-17(24-19)20-26-27-28-29(20)14(2)12-30/h3-11,14,30H,12H2,1-2H3,(H,24,25,31)/t14-/m1/s1.
What are the key properties of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide?
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 153183817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).