N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

C17H25N7O — CID 25287941

IUPACN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1cccnc1C[C@H](C)NC(=O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C17H25N7O/c1-13-6-5-7-18-15(13)10-14(2)19-17(25)12-24-16(20-21-22-24)11-23-8-3-4-9-23/h5-7,14H,3-4,8-12H2,1-2H3,(H,19,25)/t14-/m0/s1
InChIKeyUNPBMBLCDPCUJQ-AWEZNQCLSA-N
MW343.44 g/mol
LogP0.72
Rot. Bonds7

About N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 25287941) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID25287941
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1cccnc1C[C@H](C)NC(=O)Cn1nnnc1CN1CCCC1
InChIInChI=1S/C17H25N7O/c1-13-6-5-7-18-15(13)10-14(2)19-17(25)12-24-16(20-21-22-24)11-23-8-3-4-9-23/h5-7,14H,3-4,8-12H2,1-2H3,(H,19,25)/t14-/m0/s1
InChIKeyUNPBMBLCDPCUJQ-AWEZNQCLSA-N
XLogP0.72
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 124852129
N-(2,3-dihydro-1H-inden-2-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 26412938
N-[(1S)-1-(4-methylphenyl)ethyl]-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 95121705
methyl 2-[[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]amino]-4-methylsulfanylbutanoate
CID 45211270
N-propan-2-yl-2-[4-[(1-propyltetrazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 86908514
ethyl 4-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperazine-1-carboxylate
CID 42401938
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
CID 75357903
N-[2-(2-chlorophenyl)ethyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 42158113
N-(1-benzylpiperidin-3-yl)-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
CID 45250145
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 118775335

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 25287941) is N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is Cc1cccnc1C[C@H](C)NC(=O)Cn1nnnc1CN1CCCC1.
What is the InChIKey of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is UNPBMBLCDPCUJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13-6-5-7-18-15(13)10-14(2)19-17(25)12-24-16(20-21-22-24)11-23-8-3-4-9-23/h5-7,14H,3-4,8-12H2,1-2H3,(H,19,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 343.44 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 25287941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).