N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C36H33N13O2 — CID 174158415

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3CC34CNC4)ncc2c(N)n1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C20H20N6O.C16H13N7O/c1-11-2-3-22-7-13(11)16-4-12-5-17(24-8-14(12)18(21)25-16)26-19(27)15-6-20(15)9-23-10-20;17-4-9-1-11(9)16(24)23-14-3-8-2-13(10-5-20-21-6-10)22-15(18)12(8)7-19-14/h2-5,7-8,15,23H,6,9-10H2,1H3,(H2,21,25)(H,24,26,27);2-3,5-7,9,11H,1H2,(H2,18,22)(H,20,21)(H,19,23,24)/t;9-,11+/m.0/s1
InChIKeyZKOPBBKIYVEOHY-QULOSNNCSA-N
MW679.75 g/mol
LogP3.83
Rot. Bonds6

About N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 174158415) has the molecular formula C36H33N13O2 and a molecular weight of 679.75 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID174158415
Molecular FormulaC36H33N13O2
Molecular Weight679.75 g/mol
Exact Mass679.29
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C3CC34CNC4)ncc2c(N)n1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C20H20N6O.C16H13N7O/c1-11-2-3-22-7-13(11)16-4-12-5-17(24-8-14(12)18(21)25-16)26-19(27)15-6-20(15)9-23-10-20;17-4-9-1-11(9)16(24)23-14-3-8-2-13(10-5-20-21-6-10)22-15(18)12(8)7-19-14/h2-5,7-8,15,23H,6,9-10H2,1H3,(H2,21,25)(H,24,26,27);2-3,5-7,9,11H,1H2,(H2,18,22)(H,20,21)(H,19,23,24)/t;9-,11+/m.0/s1
InChIKeyZKOPBBKIYVEOHY-QULOSNNCSA-N
XLogP3.83
TPSA239.19 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500679.75
LogP ≤ 53.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 174158415) is N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is Cc1ccncc1-c1cc2cc(NC(=O)C3CC34CNC4)ncc2c(N)n1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3)nc(N)c2cn1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is ZKOPBBKIYVEOHY-QULOSNNCSA-N. The full InChI is InChI=1S/C20H20N6O.C16H13N7O/c1-11-2-3-22-7-13(11)16-4-12-5-17(24-8-14(12)18(21)25-16)26-19(27)15-6-20(15)9-23-10-20;17-4-9-1-11(9)16(24)23-14-3-8-2-13(10-5-20-21-6-10)22-15(18)12(8)7-19-14/h2-5,7-8,15,23H,6,9-10H2,1H3,(H2,21,25)(H,24,26,27);2-3,5-7,9,11H,1H2,(H2,18,22)(H,20,21)(H,19,23,24)/t;9-,11+/m.0/s1.
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 679.75 g/mol, XLogP of 3.83, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-azaspiro[2.3]hexane-2-carboxamide;cis-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 174158415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).