N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide

C15H23N5O3 — CID 87385135

IUPACN-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide
SMILESNc1ccc(N2CCCC2(O)CO)nc1N1CCCC1NC=O
InChIInChI=1S/C15H23N5O3/c16-11-4-5-13(20-8-2-6-15(20,23)9-21)18-14(11)19-7-1-3-12(19)17-10-22/h4-5,10,12,21,23H,1-3,6-9,16H2,(H,17,22)
InChIKeySCCXNDGSGJSWFY-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.38
Rot. Bonds5

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

N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide (PubChem CID 87385135) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide
PubChem CID87385135
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide
SMILESNc1ccc(N2CCCC2(O)CO)nc1N1CCCC1NC=O
InChIInChI=1S/C15H23N5O3/c16-11-4-5-13(20-8-2-6-15(20,23)9-21)18-14(11)19-7-1-3-12(19)17-10-22/h4-5,10,12,21,23H,1-3,6-9,16H2,(H,17,22)
InChIKeySCCXNDGSGJSWFY-UHFFFAOYSA-N
XLogP-0.38
TPSA114.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[3-amino-6-(2-formamido-3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 87385050
N-[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]formamide
CID 87713074
N-[1-(5,6-diamino-2-pyridinyl)-4-hydroxypyrrolidin-2-yl]formamide
CID 87385110
N-[1-[5-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 22598754
1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 22598679
N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide
CID 87385411
1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 112747946
3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 163112483
6-(2,2-dimethylpyrrolidin-1-yl)pyridin-2-amine
CID 80653179
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
1-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 43260836
1-[5-amino-6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 22598705

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide (CID 87385135) is N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide is Nc1ccc(N2CCCC2(O)CO)nc1N1CCCC1NC=O.
What is the InChIKey of N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide?
The InChIKey is SCCXNDGSGJSWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c16-11-4-5-13(20-8-2-6-15(20,23)9-21)18-14(11)19-7-1-3-12(19)17-10-22/h4-5,10,12,21,23H,1-3,6-9,16H2,(H,17,22).
What are the key properties of N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide?
N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide has a molecular weight of 321.38 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-amino-6-[2-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]pyrrolidin-2-yl]formamide is sourced from PubChem (CID 87385135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).