[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone

C16H19N5O — CID 67739234

IUPAC[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
SMILESNCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)C1
InChIInChI=1S/C16H19N5O/c17-9-11-6-8-21(10-11)14-5-1-4-13(20-14)15(22)12-3-2-7-19-16(12)18/h1-5,7,11H,6,8-10,17H2,(H2,18,19)
InChIKeyNLQZBYVNNTWLCQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.07
Rot. Bonds4

About [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone

[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone (PubChem CID 67739234) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
PubChem CID67739234
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
SMILESNCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)C1
InChIInChI=1S/C16H19N5O/c17-9-11-6-8-21(10-11)14-5-1-4-13(20-14)15(22)12-3-2-7-19-16(12)18/h1-5,7,11H,6,8-10,17H2,(H2,18,19)
InChIKeyNLQZBYVNNTWLCQ-UHFFFAOYSA-N
XLogP1.07
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The IUPAC name of [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone (CID 67739234) is [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone.
What is the SMILES notation for [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The canonical SMILES for [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone is NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)C1.
What is the InChIKey of [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The InChIKey is NLQZBYVNNTWLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-9-11-6-8-21(10-11)14-5-1-4-13(20-14)15(22)12-3-2-7-19-16(12)18/h1-5,7,11H,6,8-10,17H2,(H2,18,19).
What are the key properties of [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone has a molecular weight of 297.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone is sourced from PubChem (CID 67739234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).