N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide

C13H22N6O2 — CID 87385411

IUPACN-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide
SMILESCN(CCN)c1nc(N2CCC(O)C2NC=O)ccc1N
InChIInChI=1S/C13H22N6O2/c1-18(7-5-14)12-9(15)2-3-11(17-12)19-6-4-10(21)13(19)16-8-20/h2-3,8,10,13,21H,4-7,14-15H2,1H3,(H,16,20)
InChIKeyWYVRJXIWGOEZNX-UHFFFAOYSA-N
MW294.36 g/mol
LogP-1.30
Rot. Bonds6

About N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide

N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide (PubChem CID 87385411) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide
PubChem CID87385411
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide
SMILESCN(CCN)c1nc(N2CCC(O)C2NC=O)ccc1N
InChIInChI=1S/C13H22N6O2/c1-18(7-5-14)12-9(15)2-3-11(17-12)19-6-4-10(21)13(19)16-8-20/h2-3,8,10,13,21H,4-7,14-15H2,1H3,(H,16,20)
InChIKeyWYVRJXIWGOEZNX-UHFFFAOYSA-N
XLogP-1.30
TPSA120.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide (CID 87385411) is N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide is CN(CCN)c1nc(N2CCC(O)C2NC=O)ccc1N.
What is the InChIKey of N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide?
The InChIKey is WYVRJXIWGOEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-18(7-5-14)12-9(15)2-3-11(17-12)19-6-4-10(21)13(19)16-8-20/h2-3,8,10,13,21H,4-7,14-15H2,1H3,(H,16,20).
What are the key properties of N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide?
N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide has a molecular weight of 294.36 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-amino-6-[2-aminoethyl(methyl)amino]-2-pyridinyl]-3-hydroxypyrrolidin-2-yl]formamide is sourced from PubChem (CID 87385411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).