N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide

C21H25N7O2 — CID 56536701

IUPACN-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C21H25N7O2/c29-21(19-2-4-20(5-3-19)28-17-23-24-25-28)27(16-18-6-8-22-9-7-18)11-1-10-26-12-14-30-15-13-26/h2-9,17H,1,10-16H2
InChIKeyXTEXOTYJQQAMSG-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.42
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide

N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 56536701) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
PubChem CID56536701
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C21H25N7O2/c29-21(19-2-4-20(5-3-19)28-17-23-24-25-28)27(16-18-6-8-22-9-7-18)11-1-10-26-12-14-30-15-13-26/h2-9,17H,1,10-16H2
InChIKeyXTEXOTYJQQAMSG-UHFFFAOYSA-N
XLogP1.42
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 56564376
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
1-acetyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 56536785
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
CID 56536758
3-(ethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56536813
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56564217
4-methyl-N-(3-morpholin-4-ylpropyl)-2-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56536420
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55436225
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide (CID 56536701) is N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide is O=C(c1ccc(-n2cnnn2)cc1)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is XTEXOTYJQQAMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c29-21(19-2-4-20(5-3-19)28-17-23-24-25-28)27(16-18-6-8-22-9-7-18)11-1-10-26-12-14-30-15-13-26/h2-9,17H,1,10-16H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide?
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 407.48 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56536701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).