N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide

C16H25N5O2 — CID 22598754

IUPACN-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(N)c(N3CCCC3CO)n2)C1
InChIInChI=1S/C16H25N5O2/c1-11(23)18-12-6-8-20(9-12)15-5-4-14(17)16(19-15)21-7-2-3-13(21)10-22/h4-5,12-13,22H,2-3,6-10,17H2,1H3,(H,18,23)
InChIKeyIGLRQEDMZORXID-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.34
Rot. Bonds4

About N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide

N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 22598754) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID22598754
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(N)c(N3CCCC3CO)n2)C1
InChIInChI=1S/C16H25N5O2/c1-11(23)18-12-6-8-20(9-12)15-5-4-14(17)16(19-15)21-7-2-3-13(21)10-22/h4-5,12-13,22H,2-3,6-10,17H2,1H3,(H,18,23)
InChIKeyIGLRQEDMZORXID-UHFFFAOYSA-N
XLogP0.34
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 22598704
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
N-[1-(4-aminophenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 21087634
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
N-[1-(1-methylpyrazol-3-yl)piperidin-3-yl]acetamide
CID 145270654
N-[(3S)-1-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]acetamide
CID 97198298
methyl 5-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 102808206
1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 22598679
N-[1-(6-bromo-5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-3-yl]acetamide
CID 171335810
[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
CID 116633953
methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113402668

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 22598754) is N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ccc(N)c(N3CCCC3CO)n2)C1.
What is the InChIKey of N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is IGLRQEDMZORXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(23)18-12-6-8-20(9-12)15-5-4-14(17)16(19-15)21-7-2-3-13(21)10-22/h4-5,12-13,22H,2-3,6-10,17H2,1H3,(H,18,23).
What are the key properties of N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 22598754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).