N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide

C17H25N7O2 — CID 72923800

IUPACN-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCc1cnccc1CNC(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H25N7O2/c1-14-11-18-5-4-15(14)12-19-17(25)3-2-6-24-16(20-21-22-24)13-23-7-9-26-10-8-23/h4-5,11H,2-3,6-10,12-13H2,1H3,(H,19,25)
InChIKeyVWIRGEPKGUZQBN-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.31
Rot. Bonds8

About N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide

N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (PubChem CID 72923800) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
PubChem CID72923800
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCc1cnccc1CNC(=O)CCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H25N7O2/c1-14-11-18-5-4-15(14)12-19-17(25)3-2-6-24-16(20-21-22-24)13-23-7-9-26-10-8-23/h4-5,11H,2-3,6-10,12-13H2,1H3,(H,19,25)
InChIKeyVWIRGEPKGUZQBN-UHFFFAOYSA-N
XLogP0.31
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide
CID 29258075
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328
N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 24794167
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]butanamide
CID 31018523
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 26336170
N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
CID 29258468
1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26398739
N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 45215800
1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 97277818
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 26315001
1-(4-cyclohexyl-1,4-diazepan-1-yl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 25379471

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (CID 72923800) is N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is Cc1cnccc1CNC(=O)CCCn1nnnc1CN1CCOCC1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The InChIKey is VWIRGEPKGUZQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-14-11-18-5-4-15(14)12-19-17(25)3-2-6-24-16(20-21-22-24)13-23-7-9-26-10-8-23/h4-5,11H,2-3,6-10,12-13H2,1H3,(H,19,25).
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide has a molecular weight of 359.43 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is sourced from PubChem (CID 72923800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).