3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine

C25H25N7O — CID 24877530

IUPAC3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine
SMILESc1cncc(N(Cc2cccnc2Nc2cccnc2N2CCOCC2)c2cccnc2)c1
InChIInChI=1S/C25H25N7O/c1-5-20(19-32(21-6-2-9-26-17-21)22-7-3-10-27-18-22)24(28-11-1)30-23-8-4-12-29-25(23)31-13-15-33-16-14-31/h1-12,17-18H,13-16,19H2,(H,28,30)
InChIKeyXNHOHXRSEKHGCN-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.19
Rot. Bonds7

About 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine

3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine (PubChem CID 24877530) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine
PubChem CID24877530
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine
SMILESc1cncc(N(Cc2cccnc2Nc2cccnc2N2CCOCC2)c2cccnc2)c1
InChIInChI=1S/C25H25N7O/c1-5-20(19-32(21-6-2-9-26-17-21)22-7-3-10-27-18-22)24(28-11-1)30-23-8-4-12-29-25(23)31-13-15-33-16-14-31/h1-12,17-18H,13-16,19H2,(H,28,30)
InChIKeyXNHOHXRSEKHGCN-UHFFFAOYSA-N
XLogP4.19
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine (CID 24877530) is 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine is c1cncc(N(Cc2cccnc2Nc2cccnc2N2CCOCC2)c2cccnc2)c1.
What is the InChIKey of 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
The InChIKey is XNHOHXRSEKHGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-5-20(19-32(21-6-2-9-26-17-21)22-7-3-10-27-18-22)24(28-11-1)30-23-8-4-12-29-25(23)31-13-15-33-16-14-31/h1-12,17-18H,13-16,19H2,(H,28,30).
What are the key properties of 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine?
3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine has a molecular weight of 439.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipyridin-3-ylamino)methyl]-N-(2-morpholin-4-yl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 24877530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).