N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

C22H27N7O — CID 139004187

IUPACN-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCc1cc(CNC(=O)C(Cc2ccccc2)n2nnnc2C)cc(N2CCCC2)n1
InChIInChI=1S/C22H27N7O/c1-16-12-19(14-21(24-16)28-10-6-7-11-28)15-23-22(30)20(29-17(2)25-26-27-29)13-18-8-4-3-5-9-18/h3-5,8-9,12,14,20H,6-7,10-11,13,15H2,1-2H3,(H,23,30)
InChIKeyHPPSNDDREYKCMP-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.39
Rot. Bonds7

About N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (PubChem CID 139004187) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
PubChem CID139004187
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC NameN-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCc1cc(CNC(=O)C(Cc2ccccc2)n2nnnc2C)cc(N2CCCC2)n1
InChIInChI=1S/C22H27N7O/c1-16-12-19(14-21(24-16)28-10-6-7-11-28)15-23-22(30)20(29-17(2)25-26-27-29)13-18-8-4-3-5-9-18/h3-5,8-9,12,14,20H,6-7,10-11,13,15H2,1-2H3,(H,23,30)
InChIKeyHPPSNDDREYKCMP-UHFFFAOYSA-N
XLogP2.39
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
CID 119642838
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970829
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 55970907
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244757
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 120888731
2-methyl-3-[methyl-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 122014778
(2S)-2-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]hexanoic acid
CID 120614831
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55777030
1-(1,4-diazepan-1-yl)-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119417552
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119619312

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The IUPAC name of N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (CID 139004187) is N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is Cc1cc(CNC(=O)C(Cc2ccccc2)n2nnnc2C)cc(N2CCCC2)n1.
What is the InChIKey of N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The InChIKey is HPPSNDDREYKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-16-12-19(14-21(24-16)28-10-6-7-11-28)15-23-22(30)20(29-17(2)25-26-27-29)13-18-8-4-3-5-9-18/h3-5,8-9,12,14,20H,6-7,10-11,13,15H2,1-2H3,(H,23,30).
What are the key properties of N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide has a molecular weight of 405.51 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 139004187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).