N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide

C17H17ClN6O — CID 91765018

IUPACN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)NC(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN6O/c1-12-21-22-23-24(12)11-8-16(25)20-17(14-6-9-19-10-7-14)13-2-4-15(18)5-3-13/h2-7,9-10,17H,8,11H2,1H3,(H,20,25)
InChIKeySQKPMWOAHLWNLK-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.33
Rot. Bonds6

About N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 91765018) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID91765018
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1CCC(=O)NC(c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN6O/c1-12-21-22-23-24(12)11-8-16(25)20-17(14-6-9-19-10-7-14)13-2-4-15(18)5-3-13/h2-7,9-10,17H,8,11H2,1H3,(H,20,25)
InChIKeySQKPMWOAHLWNLK-UHFFFAOYSA-N
XLogP2.33
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
N-[furan-2-yl(phenyl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 131898891
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46960745
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91795241
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91784996
N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929107
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
CID 125167685
N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 135101819
N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 110245206
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91792687

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 91765018) is N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1CCC(=O)NC(c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is SQKPMWOAHLWNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-12-21-22-23-24(12)11-8-16(25)20-17(14-6-9-19-10-7-14)13-2-4-15(18)5-3-13/h2-7,9-10,17H,8,11H2,1H3,(H,20,25).
What are the key properties of N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 356.82 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 91765018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).