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2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane

C26H25N7O — CID 156830078

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
SMILESC1CC1.Cc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)Cc3ncccn3)ccc2nc1N
InChIInChI=1S/C23H19N7O.C3H6/c1-15-9-18-10-17(4-6-20(18)29-22(15)25)23(31)30(14-21-26-7-2-8-27-21)13-19-5-3-16(11-24)12-28-19;1-2-3-1/h2-10,12H,13-14H2,1H3,(H2,25,29);1-3H2
InChIKeyJLKVSBGIROIPKL-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.20
Rot. Bonds5

About 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane

2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane (PubChem CID 156830078) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane.

Molecular Properties

Compound Name2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
PubChem CID156830078
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
SMILESC1CC1.Cc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)Cc3ncccn3)ccc2nc1N
InChIInChI=1S/C23H19N7O.C3H6/c1-15-9-18-10-17(4-6-20(18)29-22(15)25)23(31)30(14-21-26-7-2-8-27-21)13-19-5-3-16(11-24)12-28-19;1-2-3-1/h2-10,12H,13-14H2,1H3,(H2,25,29);1-3H2
InChIKeyJLKVSBGIROIPKL-UHFFFAOYSA-N
XLogP4.20
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
The IUPAC name of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane (CID 156830078) is 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane.
What is the SMILES notation for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
The canonical SMILES for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane is C1CC1.Cc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)Cc3ncccn3)ccc2nc1N.
What is the InChIKey of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
The InChIKey is JLKVSBGIROIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O.C3H6/c1-15-9-18-10-17(4-6-20(18)29-22(15)25)23(31)30(14-21-26-7-2-8-27-21)13-19-5-3-16(11-24)12-28-19;1-2-3-1/h2-10,12H,13-14H2,1H3,(H2,25,29);1-3H2.
What are the key properties of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane?
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane has a molecular weight of 451.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane is sourced from PubChem (CID 156830078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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