3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide

C18H23N5O2 — CID 110255862

IUPAC3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
SMILESCOc1ncc(CN2CCCC2c2cccc(CCC(N)=O)n2)cn1
InChIInChI=1S/C18H23N5O2/c1-25-18-20-10-13(11-21-18)12-23-9-3-6-16(23)15-5-2-4-14(22-15)7-8-17(19)24/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H2,19,24)
InChIKeyOOLAGVKMWWVPAK-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.64
Rot. Bonds7

About 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide

3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide (PubChem CID 110255862) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
PubChem CID110255862
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
SMILESCOc1ncc(CN2CCCC2c2cccc(CCC(N)=O)n2)cn1
InChIInChI=1S/C18H23N5O2/c1-25-18-20-10-13(11-21-18)12-23-9-3-6-16(23)15-5-2-4-14(22-15)7-8-17(19)24/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H2,19,24)
InChIKeyOOLAGVKMWWVPAK-UHFFFAOYSA-N
XLogP1.64
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255864
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255865
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 95827389
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide (CID 110255862) is 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide is COc1ncc(CN2CCCC2c2cccc(CCC(N)=O)n2)cn1.
What is the InChIKey of 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is OOLAGVKMWWVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-18-20-10-13(11-21-18)12-23-9-3-6-16(23)15-5-2-4-14(22-15)7-8-17(19)24/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H2,19,24).
What are the key properties of 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide?
3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 341.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 110255862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).