N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C19H27N5O — CID 110095794

IUPACN-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCCn1ccnc1CN1CCCC1c1cccc(CNC(C)=O)n1
InChIInChI=1S/C19H27N5O/c1-3-10-23-12-9-20-19(23)14-24-11-5-8-18(24)17-7-4-6-16(22-17)13-21-15(2)25/h4,6-7,9,12,18H,3,5,8,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyRGBJIUKIACHMCH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.66
Rot. Bonds7

About N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110095794) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID110095794
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCCCn1ccnc1CN1CCCC1c1cccc(CNC(C)=O)n1
InChIInChI=1S/C19H27N5O/c1-3-10-23-12-9-20-19(23)14-24-11-5-8-18(24)17-7-4-6-16(22-17)13-21-15(2)25/h4,6-7,9,12,18H,3,5,8,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyRGBJIUKIACHMCH-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110095794) is N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CCCn1ccnc1CN1CCCC1c1cccc(CNC(C)=O)n1.
What is the InChIKey of N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is RGBJIUKIACHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-10-23-12-9-20-19(23)14-24-11-5-8-18(24)17-7-4-6-16(22-17)13-21-15(2)25/h4,6-7,9,12,18H,3,5,8,10-11,13-14H2,1-2H3,(H,21,25).
What are the key properties of N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110095794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).